BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 51034287 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12 InChI=1S/C45H51BF2N10O7S/c1-2-49-44(63)41-39(61)40(62)45(65-41)56-28-55-38-42(53-27-54-43(38)56)52-23-7-6-22-50-36(59)10-4-3-5-21-51-37(60)26-64-33-18-12-29(13-19-33)11-14-30-15-16-31-25-32-17-20-34(35-9-8-24-66-35)58(32)46(47,48)57(30)31/h8-9,11-20,24-25,27-28,39-41,45,61-62H,2-7,10,21-23,26H2,1H3,(H,49,63)(H,50,59)(H,51,60)(H,52,53,54)/b30-14+ LODSCYWXMGXOOZ-AMVVHIIESA-N 50422942 CHEMBL414055 Adenosine receptor A1 Homo sapiens 158 ChEMBL 10.1021/jm061279i 10.7270/Q20P11BS 17249651 Middleton, RJ; Briddon, SJ; Cordeaux, Y; Yates, AS; Dale, CL; George, MW; Baker, JG; Hill, SJ; Kellam, B University of Nottingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50422942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50422942&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91900214 164151817 CHEMBL414055 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 51034288 OCC1OC(C(O)C1O)n1cnc2c(NCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12 InChI=1S/C43H48BF2N9O7S/c45-44(46)54-29(13-14-30(54)23-31-15-18-33(55(31)44)35-7-6-22-63-35)12-9-28-10-16-32(17-11-28)61-25-37(58)48-19-3-1-2-8-36(57)47-20-4-5-21-49-41-38-42(51-26-50-41)53(27-52-38)43-40(60)39(59)34(24-56)62-43/h6-7,9-18,22-23,26-27,34,39-40,43,56,59-60H,1-5,8,19-21,24-25H2,(H,47,57)(H,48,58)(H,49,50,51)/b29-12+ CUIKOXSLXYWHKH-XKJRVUDJSA-N 50422943 CHEMBL375965 Adenosine receptor A1 Homo sapiens 224 ChEMBL 10.1021/jm061279i 10.7270/Q20P11BS 17249651 Middleton, RJ; Briddon, SJ; Cordeaux, Y; Yates, AS; Dale, CL; George, MW; Baker, JG; Hill, SJ; Kellam, B University of Nottingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50422943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50422943&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91900215 164151818 CHEMBL375965 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 51034289 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12 InChI=1S/C44H49BF2N10O7S/c1-2-48-43(62)40-38(60)39(61)44(64-40)55-27-54-37-41(52-26-53-42(37)55)51-22-7-21-49-35(58)9-4-3-5-20-50-36(59)25-63-32-17-11-28(12-18-32)10-13-29-14-15-30-24-31-16-19-33(34-8-6-23-65-34)57(31)45(46,47)56(29)30/h6,8,10-19,23-24,26-27,38-40,44,60-61H,2-5,7,9,20-22,25H2,1H3,(H,48,62)(H,49,58)(H,50,59)(H,51,52,53)/b29-13+ LXZOSBXEODCXJD-VFLNYLIXSA-N 50422944 CHEMBL412931 Adenosine receptor A1 Homo sapiens 245 ChEMBL 10.1021/jm061279i 10.7270/Q20P11BS 17249651 Middleton, RJ; Briddon, SJ; Cordeaux, Y; Yates, AS; Dale, CL; George, MW; Baker, JG; Hill, SJ; Kellam, B University of Nottingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50422944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50422944&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91900216 164151819 CHEMBL412931 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 51034290 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 575 ChEMBL 10.1021/jm061279i 10.7270/Q20P11BS 17249651 Middleton, RJ; Briddon, SJ; Cordeaux, Y; Yates, AS; Dale, CL; George, MW; Baker, JG; Hill, SJ; Kellam, B University of Nottingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38220 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1 InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26) QMZAMLTVEASZQQ-UHFFFAOYSA-N 21172 CHEMBL251975::N-[2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 1 Adenosine receptor A1 Homo sapiens 270 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21172&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11956193 49689245 CHEMBL251975 ZINC23360505 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38221 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1 InChI=1S/C18H20N6O2S/c1-23-5-7-24(8-6-23)12-16(25)21-15-11-13(18-19-4-10-27-18)20-17(22-15)14-3-2-9-26-14/h2-4,9-11H,5-8,12H2,1H3,(H,20,21,22,25) NPNLXWRCDBORLG-UHFFFAOYSA-N 21174 CHEMBL398272::N-[2-(furan-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 26 Adenosine receptor A1 Homo sapiens 220 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21174&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768400 49689247 CHEMBL398272 ZINC23360508 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38222 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1 InChI=1S/C20H25N7O2/c1-14-11-15(2)27(24-14)18-12-17(22-20(23-18)16-5-4-10-29-16)21-19(28)13-26-8-6-25(3)7-9-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,21,22,23,28) BWVAXODRSJSHDC-UHFFFAOYSA-N 21175 CHEMBL252171::N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 27 Adenosine receptor A1 Homo sapiens 1700 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21175&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768401 49689248 CHEMBL252171 ZINC23360511 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38223 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2cccn2)CC1 InChI=1S/C19H23N7O2/c1-14-4-5-15(28-14)19-22-16(12-17(23-19)26-7-3-6-20-26)21-18(27)13-25-10-8-24(2)9-11-25/h3-7,12H,8-11,13H2,1-2H3,(H,21,22,23,27) RSJQVIXBHCEQHV-UHFFFAOYSA-N 21176 N-[2-(5-methylfuran-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 28 Adenosine receptor A1 Homo sapiens 850 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21176&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768402 49689249 ZINC23360514 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38224 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nccc2C)CC1 InChI=1S/C20H25N7O2/c1-14-6-7-21-27(14)18-12-17(23-20(24-18)16-5-4-15(2)29-16)22-19(28)13-26-10-8-25(3)9-11-26/h4-7,12H,8-11,13H2,1-3H3,(H,22,23,24,28) SHZQNWHJWFFGPA-UHFFFAOYSA-N 21177 N-[6-(5-methyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 29 Adenosine receptor A1 Homo sapiens 390 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21177&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768403 49689250 ZINC23360517 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38225 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C21H27N7O2/c1-14-11-15(2)28(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(29)13-27-9-7-26(4)8-10-27/h5-6,11-12H,7-10,13H2,1-4H3,(H,22,23,24,29) QIPISTDFCOPXCR-UHFFFAOYSA-N 21178 JMC511730 Compound 1::N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 30 Adenosine receptor A1 Homo sapiens 850 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21178&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768404 49689251 ZINC23360520 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38226 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)CC1 InChI=1S/C19H22N6O2S/c1-13-3-4-15(27-13)18-21-14(19-20-5-10-28-19)11-16(23-18)22-17(26)12-25-8-6-24(2)7-9-25/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,22,23,26) RSXYRGSDOLORMR-UHFFFAOYSA-N 21179 N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 31 Adenosine receptor A1 Homo sapiens 720 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21179&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11956198 49689252 ZINC23360523 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38227 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1 InChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27) QFYGWYSCRHAECE-UHFFFAOYSA-N 21180 2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(thiophen-2-yl)pyrimidin-4-yl]acetamide::Pyrimidine analogue, 32 Adenosine receptor A1 Homo sapiens 389 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21180&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768405 49689253 ZINC23360526 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38228 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2cccn2)-n2cccn2)CC1 InChI=1S/C17H21N9O/c1-23-8-10-24(11-9-23)13-16(27)20-14-12-15(25-6-2-4-18-25)22-17(21-14)26-7-3-5-19-26/h2-7,12H,8-11,13H2,1H3,(H,20,21,22,27) QLEOUVARNDJFJN-UHFFFAOYSA-N 21181 N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 33 Adenosine receptor A1 Homo sapiens 4200 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21181&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768406 49689254 ZINC23360528 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38229 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1 InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28) QHUIIOCQAIOLJY-UHFFFAOYSA-N 21182 CHEMBL270761::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 34 Adenosine receptor A1 Homo sapiens 1700 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21182&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768407 49689255 CHEMBL270761 ZINC23360531 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38230 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2cnco2)CC1 InChI=1S/C19H24N8O2/c1-13-8-14(2)27(24-13)19-21-15(16-10-20-12-29-16)9-17(23-19)22-18(28)11-26-6-4-25(3)5-7-26/h8-10,12H,4-7,11H2,1-3H3,(H,21,22,23,28) SOTLFSJXJXCTLT-UHFFFAOYSA-N 21183 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 35 Adenosine receptor A1 Homo sapiens >10000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21183&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768408 49689256 ZINC23360534 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38231 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2ocnc2C)CC1 InChI=1S/C20H26N8O2/c1-13-9-14(2)28(25-13)20-22-16(19-15(3)21-12-30-19)10-17(24-20)23-18(29)11-27-7-5-26(4)6-8-27/h9-10,12H,5-8,11H2,1-4H3,(H,22,23,24,29) LEQUNUQCDRRCMW-UHFFFAOYSA-N 21184 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(4-methyl-1,3-oxazol-5-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 36 Adenosine receptor A1 Homo sapiens >10000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21184&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768409 49689257 ZINC23360537 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38232 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1 InChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26) PSCBVZXHPONWAG-UHFFFAOYSA-N 21185 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide::Pyrimidine analogue, 37 Adenosine receptor A1 Homo sapiens 850 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21185&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768410 49689258 ZINC23360540 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38233 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2cccn2)CC1 InChI=1S/C19H22N8O/c1-25-9-11-26(12-10-25)14-18(28)22-16-13-17(27-8-4-7-21-27)24-19(23-16)15-5-2-3-6-20-15/h2-8,13H,9-12,14H2,1H3,(H,22,23,24,28) VBPKAULCBBOHDH-UHFFFAOYSA-N 21186 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide::Pyrimidine analogue, 38 Adenosine receptor A1 Homo sapiens 930 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21186&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768411 49689259 ZINC23360543 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38234 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)CC1 InChI=1S/C21H26N8O/c1-15-12-16(2)29(26-15)19-13-18(24-21(25-19)17-6-4-5-7-22-17)23-20(30)14-28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,25,30) IWFABDHEBLKWSW-UHFFFAOYSA-N 21187 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 39 Adenosine receptor A1 Homo sapiens 4400 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21187&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768412 49689260 ZINC23360546 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38235 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1 InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28) WVDKULPCDHAQIA-UHFFFAOYSA-N 21188 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 40 Adenosine receptor A1 Homo sapiens 2000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21188&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768413 49689261 ZINC23360548 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38236 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 1.6 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38296 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C21H27N7O2/c1-14-11-15(2)28(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(29)13-27-9-7-26(4)8-10-27/h5-6,11-12H,7-10,13H2,1-4H3,(H,22,23,24,29) QIPISTDFCOPXCR-UHFFFAOYSA-N 21178 JMC511730 Compound 1::N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 30 Adenosine receptor A1 Homo sapiens 850 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21178&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768404 49689251 ZINC23360520 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38297 CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H29N7O2/c1-5-27-8-10-28(11-9-27)14-21(30)23-19-13-20(29-16(3)12-15(2)26-29)25-22(24-19)18-7-6-17(4)31-18/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30) ADUMYZLFDDEFPS-UHFFFAOYSA-N 21192 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide::Pyrimidin-4-ylacetamide, 6 Adenosine receptor A1 Homo sapiens 1880 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21192&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768414 49689265 ZINC23360551 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38298 CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H29N7O2/c1-15-12-16(2)29(26-15)20-13-19(24-22(25-20)18-7-6-17(3)31-18)23-21(30)14-28-9-5-8-27(4)10-11-28/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30) NDSMOKBIZMIYDJ-UHFFFAOYSA-N 21193 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide::Pyrimidin-4-ylacetamide, 7 Adenosine receptor A1 Homo sapiens 2100 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21193&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768415 49689266 ZINC36126809 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38299 CN(C)C[C@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m1/s1 KRQSPIGYXUHKMU-LJQANCHMSA-N 21194 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 20 Adenosine receptor A1 Homo sapiens 890 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21194&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768416 49689267 ZINC14975535 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38300 CN(C)C[C@@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1 KRQSPIGYXUHKMU-IBGZPJMESA-N 21195 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 21 Adenosine receptor A1 Homo sapiens 71 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21195&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768417 49689268 ZINC14975538 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38301 CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C24H33N7O2/c1-16-12-17(2)31(28-16)22-13-21(26-24(27-22)20-7-6-18(3)33-20)25-23(32)15-30-10-8-19(9-11-30)14-29(4)5/h6-7,12-13,19H,8-11,14-15H2,1-5H3,(H,25,26,27,32) IRGVKZAWAFXJJG-UHFFFAOYSA-N 21196 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-{4-[(dimethylamino)methyl]piperidin-1-yl}acetamide::Pyrimidin-4-ylacetamide, 22 Adenosine receptor A1 Homo sapiens 380 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21196&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768418 49689269 ZINC14975540 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38302 CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H27N7O3/c1-14-11-15(2)29(26-14)20-12-19(24-22(25-20)18-6-5-16(3)32-18)23-21(31)13-27-7-9-28(10-8-27)17(4)30/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24,25,31) DVMXMPFGPAWRLB-UHFFFAOYSA-N 21197 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-acetylpiperazin-1-yl)acetamide::Pyrimidin-4-ylacetamide, 8 Adenosine receptor A1 Homo sapiens 540 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21197&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768419 49689270 ZINC14975543 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38303 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1 InChI=1S/C20H24N6O3/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-6-8-28-9-7-25)22-20(23-18)16-5-4-15(3)29-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,22,23,27) ABOTXPKVARXPFD-UHFFFAOYSA-N 21198 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide::Pyrimidin-4-ylacetamide, 9 Adenosine receptor A1 Homo sapiens 500 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21198&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768420 49689271 ZINC14975546 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38304 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1 InChI=1S/C21H26N6O3/c1-14-11-15(2)27(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(28)13-26-7-4-9-29-10-8-26/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,22,23,24,28) MJCNLEGNWBNHCX-UHFFFAOYSA-N 21199 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1,4-oxazepan-4-yl)acetamide::Pyrimidin-4-ylacetamide, 10 Adenosine receptor A1 Homo sapiens 630 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21199&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768421 49689272 ZINC14975548 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38305 COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H28N6O3/c1-14-11-15(2)28(26-14)20-12-19(24-22(25-20)18-6-5-16(3)31-18)23-21(29)13-27-9-7-17(30-4)8-10-27/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,23,24,25,29) PXIFQOPKARTYCR-UHFFFAOYSA-N 21200 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide::Pyrimidin-4-ylacetamide, 11 Adenosine receptor A1 Homo sapiens 1210 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21200&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768422 49689273 ZINC14975551 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38306 CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29) BKVXJUVJYOXVBD-UHFFFAOYSA-N 21201 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1-methylpiperidin-4-yl)acetamide::Pyrimidin-4-ylacetamide, 4 Adenosine receptor A1 Homo sapiens 1020 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21201&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768423 49689274 ZINC14975554 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38307 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCC2)nc(n1)-c1ccc(C)o1 InChI=1S/C20H24N6O2/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-8-4-5-9-25)22-20(23-18)16-7-6-15(3)28-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22,23,27) ICWUXDJBFYYDHU-UHFFFAOYSA-N 21202 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(pyrrolidin-1-yl)acetamide::Pyrimidin-4-ylacetamide, 12 Adenosine receptor A1 Homo sapiens 347 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21202&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768424 49689275 ZINC14975557 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38308 CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m0/s1 FJQPCZJPOCTEEK-KRWDZBQOSA-N 21203 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 13 Adenosine receptor A1 Homo sapiens 940 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21203&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768425 49689276 ZINC36126810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38309 CN(C)[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m1/s1 FJQPCZJPOCTEEK-QGZVFWFLSA-N 21204 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 14 Adenosine receptor A1 Homo sapiens 262 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21204&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768426 49689277 ZINC36124139 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38310 CC(C)O[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C23H30N6O3/c1-14(2)31-18-8-9-28(12-18)13-22(30)24-20-11-21(29-16(4)10-15(3)27-29)26-23(25-20)19-7-6-17(5)32-19/h6-7,10-11,14,18H,8-9,12-13H2,1-5H3,(H,24,25,26,30)/t18-/m0/s1 KGHBKXALSJLZKK-SFHVURJKSA-N 21205 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(propan-2-yloxy)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 15 Adenosine receptor A1 Homo sapiens 2300 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21205&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768427 49689278 ZINC14975565 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38311 CCN[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m1/s1 KMMAIJQUGOQJIO-QGZVFWFLSA-N 21206 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 16 Adenosine receptor A1 Homo sapiens 270 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21206&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768428 49689279 ZINC23360565 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38312 CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m0/s1 KMMAIJQUGOQJIO-KRWDZBQOSA-N 21207 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 17 Adenosine receptor A1 Homo sapiens 370 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21207&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768429 49689280 ZINC23360571 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38313 CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C24H33N7O2/c1-6-30(7-2)19-10-11-29(14-19)15-23(32)25-21-13-22(31-17(4)12-16(3)28-31)27-24(26-21)20-9-8-18(5)33-20/h8-9,12-13,19H,6-7,10-11,14-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1 RZWNFRXLFHITKC-IBGZPJMESA-N 21208 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide::Pyrimidin-4-ylacetamide, 18 Adenosine receptor A1 Homo sapiens 2600 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21208&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768430 49689281 ZINC36113884 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38314 CN(C)C[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C23H31N7O2/c1-15-10-16(2)30(27-15)21-11-20(25-23(26-21)19-7-6-17(3)32-19)24-22(31)14-29-9-8-18(13-29)12-28(4)5/h6-7,10-11,18H,8-9,12-14H2,1-5H3,(H,24,25,26,31)/t18-/m1/s1 UAAYMUFGVDVSAW-GOSISDBHSA-N 21209 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 23 Adenosine receptor A1 Homo sapiens 550 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21209&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768431 49689282 ZINC14975576 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38315 CN(C)C[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C23H31N7O2/c1-15-10-16(2)30(27-15)21-11-20(25-23(26-21)19-7-6-17(3)32-19)24-22(31)14-29-9-8-18(13-29)12-28(4)5/h6-7,10-11,18H,8-9,12-14H2,1-5H3,(H,24,25,26,31)/t18-/m0/s1 UAAYMUFGVDVSAW-SFHVURJKSA-N 21210 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 24 Adenosine receptor A1 Homo sapiens 220 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21210&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768432 49689283 ZINC14975579 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38316 CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26) AACWUFIIMOHGSO-UHFFFAOYSA-N 21211 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-(dimethylamino)propanamide::Pyrimidin-4-ylacetamide, 26 Adenosine receptor A1 Homo sapiens 210 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21211&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768433 49689284 ZINC14975582 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38317 CN(C)[C@H]1CCN(CCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C23H31N7O2/c1-15-12-16(2)30(27-15)21-13-20(25-23(26-21)19-7-6-17(3)32-19)24-22(31)9-11-29-10-8-18(14-29)28(4)5/h6-7,12-13,18H,8-11,14H2,1-5H3,(H,24,25,26,31)/t18-/m0/s1 FVYCZVOQAJZLBF-SFHVURJKSA-N 21212 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide::Pyrimidin-4-ylacetamide, 27 Adenosine receptor A1 Homo sapiens 630 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21212&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768434 49689285 ZINC23360577 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38318 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 1.6 Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38329 c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17) TUASFNZQWJGIHZ-UHFFFAOYSA-N 21213 2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine::2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]pyridine::2-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]pyridine::CHEMBL260311::triazole-dipyridine, A Adenosine receptor A1 Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21213&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 314836 49689286 CHEMBL260311 ZINC01761361 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38330 Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O InChI=1S/C11H7ClN4O/c12-9-5-8(15-16-9)10-11(17)14-7-4-2-1-3-6(7)13-10/h1-5H,(H,14,17)(H,15,16) HKRYFPDYIBYUGZ-UHFFFAOYSA-N 21214 3-(3-chloro-1H-pyrazol-5-yl)-1,2-dihydroquinoxalin-2-one::3-(3-chloro-1H-pyrazol-5-yl)quinoxalin-2(1H)-one::CHEMBL403521::pyrazole-quinoxalinone, B Adenosine receptor A1 Homo sapiens 3336 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21214&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11139437 49689287 CHEMBL403521 ZINC13678086 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38331 c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1 InChI=1S/C15H10N4/c1-2-6-11-10(5-1)16-9-14(17-11)15-18-12-7-3-4-8-13(12)19-15/h1-9H,(H,18,19) AYFBMQMYJRNGIM-UHFFFAOYSA-N 21215 2-(1H-1,3-benzodiazol-2-yl)quinoxaline::2-(1H-benzimidazol-2-yl)quinoxaline::CHEMBL200636::benzimidazole-quinoxaline, C1 Adenosine receptor A1 Homo sapiens 50 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21215&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11658819 49689288 CHEMBL200636 ZINC13678088 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38332 CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1 InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21) IHVQPVYBIZVMSJ-UHFFFAOYSA-N 21216 2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quinoxaline::2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline::CHEMBL198008::benzimidazole-quinoxaline, C2 Adenosine receptor A1 Homo sapiens 0.5 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21216&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11688103 49689289 CHEMBL198008 ZINC13678112 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38333 Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1 InChI=1S/C16H12N4/c1-10-5-4-8-13-15(10)20-16(19-13)14-9-17-11-6-2-3-7-12(11)18-14/h2-9H,1H3,(H,19,20) HQNVISKJTIKRQJ-UHFFFAOYSA-N 21217 2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline::CHEMBL198779::benzimidazole-quinoxaline, C3 Adenosine receptor A1 Homo sapiens 8000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21217&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11521761 49689290 CHEMBL198779 ZINC13678106 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38334 Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21 InChI=1S/C12H12N6/c1-4-13-7-8(14-4)10-12(18-6(3)16-10)11-9(7)15-5(2)17-11/h1-3H3,(H,13,14)(H,15,17)(H,16,18) UWUCIHVBCVYCBJ-UHFFFAOYSA-N 21218 2,5,8-trimethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d :5,6-d ]triimidazole::4,9,14-trimethyl-3,5,8,10,13,15-hexaazatetracyclo[10.3.0.0^{2,6}.0^{7,11}]pentadeca-1(12),2(6),3,7(11),8,13-hexaene::CHEMBL200480::benzotriimidazole, D Adenosine receptor A1 Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21218&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14873275 49689291 CHEMBL200480 ZINC13678090 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38335 CC1CSc2nc3nn[nH]c3c(=O)n12 InChI=1S/C7H7N5OS/c1-3-2-14-7-8-5-4(9-11-10-5)6(13)12(3)7/h3H,2H2,1H3,(H,9,10,11) WBHQTBNEJTXXLN-UHFFFAOYSA-N 21219 12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),4,8-trien-2-one::7-methyl-6,7-dihydro[1,3]thiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(3H)-one::CHEMBL445664::triazolopyrimidinone, E Adenosine receptor A1 Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21219&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11535816 49689292 CHEMBL445664 ZINC13678093 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38336 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 0.5 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38337 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 14 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38338 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A1 Homo sapiens 890 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38339 COc1cc(NC(C)=O)nc(SC)n1 InChI=1S/C8H11N3O2S/c1-5(12)9-6-4-7(13-2)11-8(10-6)14-3/h4H,1-3H3,(H,9,10,11,12) QEGWPRMLVDYOAP-UHFFFAOYSA-N 21222 2-mercaptopyrimidine analogue, 5a::N-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21222&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768435 49689295 ZINC14975588 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38340 CCC(=O)Nc1cc(OC)nc(SC)n1 InChI=1S/C9H13N3O2S/c1-4-7(13)10-6-5-8(14-2)12-9(11-6)15-3/h5H,4H2,1-3H3,(H,10,11,12,13) GJFHACCFGHVGBN-UHFFFAOYSA-N 21223 2-mercaptopyrimidine analogue, 5b::N-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]propanamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21223&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768436 49689296 ZINC14975591 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38341 CCCOc1cc(NC(C)=O)nc(SC)n1 InChI=1S/C10H15N3O2S/c1-4-5-15-9-6-8(11-7(2)14)12-10(13-9)16-3/h6H,4-5H2,1-3H3,(H,11,12,13,14) SXTYNRQUEVYKGM-UHFFFAOYSA-N 21224 2-mercaptopyrimidine analogue, 5c::N-[2-(methylsulfanyl)-6-propoxypyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21224&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768437 49689297 ZINC14975594 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38342 CCCOc1cc(NC(=O)CC)nc(SC)n1 InChI=1S/C11H17N3O2S/c1-4-6-16-10-7-8(12-9(15)5-2)13-11(14-10)17-3/h7H,4-6H2,1-3H3,(H,12,13,14,15) QYJDYRFPFRKOAF-UHFFFAOYSA-N 21225 2-mercaptopyrimidine analogue, 5d::N-[2-(methylsulfanyl)-6-propoxypyrimidin-4-yl]propanamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21225&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768438 49689298 ZINC14975596 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38343 CCCSc1nc(NC(C)=O)cc(OC)n1 InChI=1S/C10H15N3O2S/c1-4-5-16-10-12-8(11-7(2)14)6-9(13-10)15-3/h6H,4-5H2,1-3H3,(H,11,12,13,14) FJZVGFGVKMNZEN-UHFFFAOYSA-N 21226 2-mercaptopyrimidine analogue, 5e::N-[6-methoxy-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21226&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768439 49689299 ZINC14975599 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38344 CCCSc1nc(NC(=O)CC)cc(OC)n1 InChI=1S/C11H17N3O2S/c1-4-6-17-11-13-8(12-9(15)5-2)7-10(14-11)16-3/h7H,4-6H2,1-3H3,(H,12,13,14,15) DZGIGWSCYGMAOL-UHFFFAOYSA-N 21227 2-mercaptopyrimidine analogue, 5f::N-[6-methoxy-2-(propylsulfanyl)pyrimidin-4-yl]propanamide Adenosine receptor A1 Homo sapiens 486 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21227&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768440 49689300 ZINC14975602 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38345 CCCOc1cc(NC(C)=O)nc(SCCC)n1 InChI=1S/C12H19N3O2S/c1-4-6-17-11-8-10(13-9(3)16)14-12(15-11)18-7-5-2/h8H,4-7H2,1-3H3,(H,13,14,15,16) MFLLCAQHZQKDSI-UHFFFAOYSA-N 21228 2-mercaptopyrimidine analogue, 5g::N-[6-propoxy-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 5474 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21228&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768441 49689301 ZINC14975605 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38346 CCCOc1cc(NC(=O)CC)nc(SCCC)n1 InChI=1S/C13H21N3O2S/c1-4-7-18-12-9-10(14-11(17)6-3)15-13(16-12)19-8-5-2/h9H,4-8H2,1-3H3,(H,14,15,16,17) LDWFVJJZFOZGAM-UHFFFAOYSA-N 21229 2-mercaptopyrimidine analogue, 5h::N-[6-propoxy-2-(propylsulfanyl)pyrimidin-4-yl]propanamide Adenosine receptor A1 Homo sapiens 1462 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21229&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768442 49689302 ZINC14975607 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38347 CCCOc1cc(NC(C)=O)nc(SCc2ccccc2)n1 InChI=1S/C16H19N3O2S/c1-3-9-21-15-10-14(17-12(2)20)18-16(19-15)22-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20) DYRGWIPSUCOGPQ-UHFFFAOYSA-N 21230 2-mercaptopyrimidine analogue, 5i::N-[2-(benzylsulfanyl)-6-propoxypyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21230&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768443 49689303 ZINC14975609 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38348 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1 InChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20) GACMOWSTZKJISX-UHFFFAOYSA-N 21231 2-mercaptopyrimidine analogue, 5j::N-[6-(benzyloxy)-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 2445 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21231&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768444 49689304 ZINC14975612 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38349 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1 InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-6-4-5-7-13(12)17/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21) GCOZWYSMVAXUDI-UHFFFAOYSA-N 21232 2-mercaptopyrimidine analogue, 5k::N-{6-[(2-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A1 Homo sapiens 1840 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21232&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768445 49689305 ZINC14975615 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38350 CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1 InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21) AESHNCRRLLSPTG-UHFFFAOYSA-N 21233 2-mercaptopyrimidine analogue, 5l::N-{6-[(3-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A1 Homo sapiens 582 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21233&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768446 49689306 ZINC14975618 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38351 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21) VMUWYGVIWGRWFR-UHFFFAOYSA-N 21234 2-mercaptopyrimidine analogue, 5m::N-{6-[(4-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21234&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768447 49689307 ZINC14975621 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38352 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1 InChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22) ALKHYYXDOUGTKZ-UHFFFAOYSA-N 21235 2-mercaptopyrimidine analogue, 5n::N-{6-[(2,4-dichlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21235&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768448 49689308 ZINC14975624 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38353 CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1 InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21) GVHQDMHRJGJQHF-UHFFFAOYSA-N 21236 2-mercaptopyrimidine analogue, 5o::N-{6-[(4-methoxyphenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A1 Homo sapiens 2443 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21236&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768449 49689309 ZINC14975627 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38354 CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1 InChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21) RGPCIPPBXWHJOD-UHFFFAOYSA-N 21237 2-mercaptopyrimidine analogue, 5p::N-[6-(2-phenylethoxy)-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 2080 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21237&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768450 49689310 ZINC14975630 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38355 CCCSc1nc(NC(C)=O)cc(OCC2CCCCC2)n1 InChI=1S/C16H25N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H,17,18,19,20) TXTHBALAJYMVIQ-UHFFFAOYSA-N 21238 2-mercaptopyrimidine analogue, 5q::N-[6-(cyclohexylmethoxy)-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21238&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768451 49689311 ZINC14975633 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38356 CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20) QTQBWKGZTBCDEM-UHFFFAOYSA-N 21239 2-mercaptopyrimidine analogue, 5r::N-{6-[(4-chlorophenyl)methoxy]-2-(ethylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A1 Homo sapiens 4480 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21239&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768452 49689312 ZINC14975634 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 38357 CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1 InChI=1S/C17H20ClN3O2S/c1-11(22)19-14-9-15(21-16(20-14)24-17(2,3)4)23-10-12-5-7-13(18)8-6-12/h5-9H,10H2,1-4H3,(H,19,20,21,22) LHNYUIMKOCZPNO-UHFFFAOYSA-N 21240 2-mercaptopyrimidine analogue, 5s::N-[2-(tert-butylsulfanyl)-6-[(4-chlorophenyl)methoxy]pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21240&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768453 49689313 ZINC14975637 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 46046 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 SQMWSBKSHWARHU-SDBHATRESA-N 25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378 Adenosine receptor A1 Homo sapiens 9 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800613s 10.7270/Q26M3554 18783211 aid1798550 Karellas, P; McNaughton, M; Baker, SP; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25400&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3GU 3GU8 657378 56374539 CHEMBL68738 ZINC03995996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 46047 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12 InChI=1S/C21H27N7O7/c29-7-15-17(33)18(34)21(35-15)28-9-26-16-19(24-8-25-20(16)28)23-4-3-22-6-14(32)11-1-2-13(31)12(5-11)27-10-30/h1-2,5,8-10,14-15,17-18,21-22,29,31-34H,3-4,6-7H2,(H,27,30)(H,23,24,25)/t14?,15-,17-,18-,21-/m1/s1 CFGOIPCVIXHOLU-BWZSZYTASA-N 25394 Bivalent derivative, 12a::N-[5-(2-{[2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)ethyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide Adenosine receptor A1 Homo sapiens 1979 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800613s 10.7270/Q26M3554 18783211 aid1798550 Karellas, P; McNaughton, M; Baker, SP; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25394&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25023948 56374533 C06049 ZINC40865947 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 46048 Nc1cc(ccc1O)C(O)CNCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C20H27N7O6/c21-11-5-10(1-2-12(11)29)13(30)6-22-3-4-23-18-15-19(25-8-24-18)27(9-26-15)20-17(32)16(31)14(7-28)33-20/h1-2,5,8-9,13-14,16-17,20,22,28-32H,3-4,6-7,21H2,(H,23,24,25)/t13?,14-,16-,17-,20-/m1/s1 RPMDHKHPAGEKMG-UEXBNONGSA-N 25395 (2R,3R,4S,5R)-2-{6-[(2-{[2-(3-amino-4-hydroxyphenyl)-2-hydroxyethyl]amino}ethyl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol::Bivalent derivative, 12b Adenosine receptor A1 Homo sapiens 2749 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800613s 10.7270/Q26M3554 18783211 aid1798550 Karellas, P; McNaughton, M; Baker, SP; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25395&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25023949 56374534 ZINC40865952 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 46049 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12 InChI=1S/C23H31N7O7/c31-9-17-19(35)20(36)23(37-17)30-11-28-18-21(26-10-27-22(18)30)25-6-2-1-5-24-8-16(34)13-3-4-15(33)14(7-13)29-12-32/h3-4,7,10-12,16-17,19-20,23-24,31,33-36H,1-2,5-6,8-9H2,(H,29,32)(H,25,26,27)/t16?,17-,19-,20-,23-/m1/s1 BUDKUWZRNIESPK-OPIJFSDVSA-N 25396 Bivalent derivative, 12c::N-[5-(2-{[4-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide Adenosine receptor A1 Homo sapiens 1914 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800613s 10.7270/Q26M3554 18783211 aid1798550 Karellas, P; McNaughton, M; Baker, SP; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25396&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25023950 56374535 C06049 ZINC44387191 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 46050 Nc1cc(ccc1O)C(O)CNCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C22H31N7O6/c23-13-7-12(3-4-14(13)31)15(32)8-24-5-1-2-6-25-20-17-21(27-10-26-20)29(11-28-17)22-19(34)18(33)16(9-30)35-22/h3-4,7,10-11,15-16,18-19,22,24,30-34H,1-2,5-6,8-9,23H2,(H,25,26,27)/t15?,16-,18-,19-,22-/m1/s1 GOLWWZBJPUAEDB-SYDIUPFYSA-N 25397 (2R,3R,4S,5R)-2-{6-[(4-{[2-(3-amino-4-hydroxyphenyl)-2-hydroxyethyl]amino}butyl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol::Bivalent derivative, 12d Adenosine receptor A1 Homo sapiens 1014 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800613s 10.7270/Q26M3554 18783211 aid1798550 Karellas, P; McNaughton, M; Baker, SP; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25397&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25023951 56374536 ZINC40866573 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 46051 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12 InChI=1S/C25H35N7O7/c33-11-19-21(37)22(38)25(39-19)32-13-30-20-23(28-12-29-24(20)32)27-8-4-2-1-3-7-26-10-18(36)15-5-6-17(35)16(9-15)31-14-34/h5-6,9,12-14,18-19,21-22,25-26,33,35-38H,1-4,7-8,10-11H2,(H,31,34)(H,27,28,29)/t18?,19-,21-,22-,25-/m1/s1 RYVVFUHRFAJPCC-NDIYSDBASA-N 25398 Bivalent derivative, 12e::N-[5-(2-{[6-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)hexyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide Adenosine receptor A1 Homo sapiens 436 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800613s 10.7270/Q26M3554 18783211 aid1798550 Karellas, P; McNaughton, M; Baker, SP; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25398&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25023952 56374537 C06049 ZINC42890479 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 46052 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCOCCOCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12 InChI=1S/C25H35N7O9/c33-11-19-21(37)22(38)25(41-19)32-13-30-20-23(28-12-29-24(20)32)27-4-6-40-8-7-39-5-3-26-10-18(36)15-1-2-17(35)16(9-15)31-14-34/h1-2,9,12-14,18-19,21-22,25-26,33,35-38H,3-8,10-11H2,(H,31,34)(H,27,28,29)/t18?,19-,21-,22-,25-/m1/s1 WOQFITNYMZQCRI-NDIYSDBASA-N 25399 Bivalent derivative, 18::N-[5-(1-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-12-hydroxy-4,7-dioxa-1,10-diazadodecan-12-yl)-2-hydroxyphenyl]formamide Adenosine receptor A1 Homo sapiens 1907 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800613s 10.7270/Q26M3554 18783211 aid1798550 Karellas, P; McNaughton, M; Baker, SP; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25399&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25023953 56374538 C06049 ZINC49878660 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47779 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1 InChI=1S/C17H17N5O/c1-11-9-12(2)22(21-11)17-19-15(14-7-5-4-6-8-14)10-16(20-17)18-13(3)23/h4-10H,1-3H3,(H,18,19,20,23) OPNAWTWHKNBYIX-UHFFFAOYSA-N 26231 CHEMBL487765::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6a Adenosine receptor A1 Homo sapiens 290 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26231&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138072 56464668 CHEMBL487765 ZINC44305425 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47780 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccnc1 InChI=1S/C16H16N6O/c1-10-7-11(2)22(21-10)16-19-14(13-5-4-6-17-9-13)8-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23) LTWAUSKVHLPSOA-UHFFFAOYSA-N 26232 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6b Adenosine receptor A1 Homo sapiens 2100 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26232&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138073 56464669 ZINC45497130 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47781 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccncc1 InChI=1S/C16H16N6O/c1-10-8-11(2)22(21-10)16-19-14(13-4-6-17-7-5-13)9-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23) KUMYJQZMYWIEHZ-UHFFFAOYSA-N 26233 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6c Adenosine receptor A1 Homo sapiens 820 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26233&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138074 56464670 ZINC40423232 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47782 COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24) QTJDEJXKPAATAY-UHFFFAOYSA-N 26234 CHEMBL486950::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6d Adenosine receptor A1 Homo sapiens 65 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26234&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138075 56464671 CHEMBL486950 ZINC42878321 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47783 COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-14(9-16(22-18)20-12(3)25)13-6-5-7-15(26-4)17(13)19/h5-9H,1-4H3,(H,20,21,22,25) MHSIRMSFRHMBDY-UHFFFAOYSA-N 26235 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6e Adenosine receptor A1 Homo sapiens 110 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26235&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138076 56464672 ZINC40423898 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47784 COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25) XGFRRYAZOMJDQL-UHFFFAOYSA-N 26236 CHEMBL487569::N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6f Adenosine receptor A1 Homo sapiens 22 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26236&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138077 56464673 CHEMBL487569 ZINC40422762 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47785 COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24) ZPOFECDYIXUBJD-UHFFFAOYSA-N 26237 CHEMBL458242::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6g Adenosine receptor A1 Homo sapiens 190 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26237&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138078 56464674 CHEMBL458242 ZINC40864215 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47786 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1 InChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23) TWPKWYDANODGCY-UHFFFAOYSA-N 26238 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypyridin-3-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6h Adenosine receptor A1 Homo sapiens 195 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26238&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138079 56464675 ZINC45484858 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47787 COCCOc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26) LHFROBFAPLSYRB-UHFFFAOYSA-N 26239 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 7 Adenosine receptor A1 Homo sapiens 110 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26239&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138080 56464676 ZINC42887715 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47788 COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C InChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29) CYCJQENBXNRINR-UHFFFAOYSA-N 26240 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide::pyrazolylpyrimidine derivative, 9a Adenosine receptor A1 Homo sapiens 940 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26240&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138081 56464677 ZINC45484946 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47789 CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 InChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25) IXMNYLMWWGRTJQ-UHFFFAOYSA-N 26241 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]propanamide::pyrazolylpyrimidine derivative, 9b Adenosine receptor A1 Homo sapiens 70 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26241&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138082 56464678 ZINC40423480 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47790 COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 InChI=1S/C17H18N6O3/c1-10-5-11(2)23(22-10)16-19-14(7-15(20-16)21-17(24)26-4)12-6-13(25-3)9-18-8-12/h5-9H,1-4H3,(H,19,20,21,24) OIGKTTFTKCPYQX-UHFFFAOYSA-N 26242 methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate::pyrazolylpyrimidine derivative, 9c Adenosine receptor A1 Homo sapiens 780 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26242&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138083 56464679 ZINC42878097 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47791 CCOC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 InChI=1S/C18H20N6O3/c1-5-27-18(25)22-16-8-15(13-7-14(26-4)10-19-9-13)20-17(21-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25) LZPFERLGKNQAQE-UHFFFAOYSA-N 26243 ethyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate::pyrazolylpyrimidine derivative, 9d Adenosine receptor A1 Homo sapiens 620 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26243&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138084 56464680 ZINC40943100 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47792 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(ccn1)N1CCOCC1 InChI=1S/C20H23N7O2/c1-13-10-14(2)27(25-13)20-23-18(12-19(24-20)22-15(3)28)17-11-16(4-5-21-17)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24,28) IGPZAROLAAZMAV-UHFFFAOYSA-N 26244 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 17 Adenosine receptor A1 Homo sapiens 4600 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26244&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25069599 56464681 ZINC40423220 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47793 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(c1)N1CCOCC1 InChI=1S/C20H23N7O2/c1-13-8-14(2)27(25-13)20-23-18(10-19(24-20)22-15(3)28)16-9-17(12-21-11-16)26-4-6-29-7-5-26/h8-12H,4-7H2,1-3H3,(H,22,23,24,28) CPUAZCHEZPJRLH-UHFFFAOYSA-N 26245 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 14 Adenosine receptor A1 Homo sapiens 220 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26245&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25074313 56464682 ZINC42888456 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47794 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccnc(c1)N1CCOCC1 InChI=1S/C20H23N7O2/c1-13-10-14(2)27(25-13)20-23-17(12-18(24-20)22-15(3)28)16-4-5-21-19(11-16)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24,28) SSWHPIYEHLSRFD-UHFFFAOYSA-N 26246 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholin-4-yl)pyridin-4-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 15 Adenosine receptor A1 Homo sapiens 580 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26246&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138085 56464683 ZINC40422957 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47795 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1 InChI=1S/C20H23N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28) ONJXHXVTYOPVIN-UHFFFAOYSA-N 26247 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16a Adenosine receptor A1 Homo sapiens 130 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26247&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25069914 56464684 ZINC42888038 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47796 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(N)n1 InChI=1S/C16H17N7O/c1-9-7-10(2)23(22-9)16-20-13(8-15(21-16)18-11(3)24)12-5-4-6-14(17)19-12/h4-8H,1-3H3,(H2,17,19)(H,18,20,21,24) IJOJVQBWEGAGTM-UHFFFAOYSA-N 26248 N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16b Adenosine receptor A1 Homo sapiens 440 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26248&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25069603 56464685 ZINC40422795 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47797 CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H21N7O/c1-11-9-12(2)25(23-11)18-21-15(10-16(22-18)19-13(3)26)14-7-6-8-17(20-14)24(4)5/h6-10H,1-5H3,(H,19,21,22,26) PZIMFNJQILPVJP-UHFFFAOYSA-N 26249 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16c Adenosine receptor A1 Homo sapiens 81 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26249&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138086 56464686 ZINC40422932 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47798 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1 InChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28) FKWNFEDFTOOVQH-UHFFFAOYSA-N 26250 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16d Adenosine receptor A1 Homo sapiens 7.2 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26250&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138087 56464687 ZINC45484562 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47799 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1 InChI=1S/C21H25N7O/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-8-7-9-20(23-17)27-10-5-4-6-11-27/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,22,24,25,29) JOXNJVPEQQKBIP-UHFFFAOYSA-N 26251 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16e Adenosine receptor A1 Homo sapiens 31 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26251&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138088 56464688 ZINC40423671 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47800 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCOCC1 InChI=1S/C21H25N7O2/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-6-4-7-20(23-17)27-8-5-10-30-11-9-27/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,22,24,25,29) KWQQYOALARJKSN-UHFFFAOYSA-N 26252 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(1,4-oxazepan-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16f Adenosine receptor A1 Homo sapiens 280 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26252&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138089 56464689 ZINC42887757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47801 CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C21H26N8O/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30) CQMWNSQCEMHNIW-UHFFFAOYSA-N 26253 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16g Adenosine receptor A1 Homo sapiens 120 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26253&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138090 56464690 ZINC40423793 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47802 COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C20H25N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28) DYRFUYFXUGUOIA-UHFFFAOYSA-N 26254 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16h Adenosine receptor A1 Homo sapiens 55 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26254&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25074004 56464691 ZINC40423391 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47803 COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C20H23N7O2/c1-12-8-13(2)27(25-12)20-23-17(9-18(24-20)21-14(3)28)16-6-5-7-19(22-16)26-10-15(11-26)29-4/h5-9,15H,10-11H2,1-4H3,(H,21,23,24,28) UHHRYINUVNKFTA-UHFFFAOYSA-N 26255 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16i Adenosine receptor A1 Homo sapiens 34 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26255&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138091 56464692 ZINC45496651 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47804 COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30) JENSDTKXNVHSSN-UHFFFAOYSA-N 26256 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16j Adenosine receptor A1 Homo sapiens 85 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26256&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25074316 56464693 ZINC43200326 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 47805 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1 InChI=1S/C21H25N7O2/c1-13-11-14(2)28(26-13)21-24-18(12-19(25-21)22-15(3)29)17-5-4-6-20(23-17)27-9-7-16(30)8-10-27/h4-6,11-12,16,30H,7-10H2,1-3H3,(H,22,24,25,29) NOMOVVSYFDZGOW-UHFFFAOYSA-N 26257 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydroxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16k Adenosine receptor A1 Homo sapiens 470 Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26257&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25138092 56464694 ZINC42878010 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63493 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1F InChI=1S/C18H16FN5O/c1-11-5-4-8-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24) OMKGDUNXJZBSSX-UHFFFAOYSA-N 35805 pyrimidine-4-carboxamide, 60 Adenosine receptor A1 Homo sapiens 38 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35805&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520957 85856598 ZINC45340214 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63494 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(F)c1 InChI=1S/C18H16FN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24) ZHVWEQPYUMWWRM-UHFFFAOYSA-N 35806 pyrimidine-4-carboxamide, 62 Adenosine receptor A1 Homo sapiens 31 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35806&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520958 85856599 ZINC45347312 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63495 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1Cl InChI=1S/C18H16ClN5O/c1-11-5-4-8-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24) AZTIAPCDZAYYTP-UHFFFAOYSA-N 35807 pyrimidine-4-carboxamide, 64 Adenosine receptor A1 Homo sapiens 394 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35807&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520959 85856600 ZINC45348003 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63496 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(Cl)c1 InChI=1S/C18H16ClN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24) UEEYBUDDHSTDBQ-UHFFFAOYSA-N 35808 pyrimidine-4-carboxamide, 66 Adenosine receptor A1 Homo sapiens 56 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35808&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520960 85856601 ZINC45348491 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63497 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C InChI=1S/C19H19N5O/c1-12-6-3-4-8-14(12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)7-5-9-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) VQJMRQUZONINAW-UHFFFAOYSA-N 35809 pyrimidine-4-carboxamide, 68 Adenosine receptor A1 Homo sapiens 1208 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35809&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11302050 85856602 ZINC45393762 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63498 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O/c1-12-5-3-7-14(9-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)6-4-8-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) KBDRHCFCSHAAEU-UHFFFAOYSA-N 35810 pyrimidine-4-carboxamide, 70 Adenosine receptor A1 Homo sapiens 94 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35810&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520961 85856603 ZINC45348299 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63499 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O/c1-12-5-7-14(8-6-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)4-3-9-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) CCIDSDCHIWRPAJ-UHFFFAOYSA-N 35811 pyrimidine-4-carboxamide, 72 Adenosine receptor A1 Homo sapiens 83 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35811&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520962 85856604 ZINC45350874 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63500 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O2/c1-12-6-5-9-21-16(12)11-22-18(25)15-10-14(23-19(20)24-15)13-7-3-4-8-17(13)26-2/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) SKIXXTANEXOQMD-UHFFFAOYSA-N 35812 pyrimidine-4-carboxamide, 74 Adenosine receptor A1 Homo sapiens 720 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520963 85856605 ZINC45348578 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63501 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O2/c1-12-5-4-8-21-17(12)11-22-18(25)16-10-15(23-19(20)24-16)13-6-3-7-14(9-13)26-2/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) BOJBVPSBZMUXPG-UHFFFAOYSA-N 35813 pyrimidine-4-carboxamide, 76 Adenosine receptor A1 Homo sapiens 199 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35813&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520964 85856606 ZINC45340229 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63502 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O2/c1-12-4-3-9-21-17(12)11-22-18(25)16-10-15(23-19(20)24-16)13-5-7-14(26-2)8-6-13/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) WZCBNYKLBHHBIU-UHFFFAOYSA-N 35814 pyrimidine-4-carboxamide, 78 Adenosine receptor A1 Homo sapiens 276 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35814&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520965 85856607 ZINC45352658 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63503 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C20H21N5O/c1-3-14-8-4-5-9-15(14)16-11-17(25-20(21)24-16)19(26)23-12-18-13(2)7-6-10-22-18/h4-11H,3,12H2,1-2H3,(H,23,26)(H2,21,24,25) ANWQSYZVEBWUCN-UHFFFAOYSA-N 35815 pyrimidine-4-carboxamide, 80 Adenosine receptor A1 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35815&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520966 85856608 ZINC45348038 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63504 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C20H21N5O2/c1-3-27-18-9-5-4-8-14(18)15-11-16(25-20(21)24-15)19(26)23-12-17-13(2)7-6-10-22-17/h4-11H,3,12H2,1-2H3,(H,23,26)(H2,21,24,25) PZIMWNVGBTWRON-UHFFFAOYSA-N 35816 pyrimidine-4-carboxamide, 82 Adenosine receptor A1 Homo sapiens 7902 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35816&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520967 85856609 ZINC45349259 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63505 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C#N InChI=1S/C19H16N6O/c1-12-5-4-8-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-7-3-2-6-13(14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25) HRZQUYPTNWLNOJ-UHFFFAOYSA-N 35817 pyrimidine-4-carboxamide, 84 Adenosine receptor A1 Homo sapiens 1157 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35817&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520968 85856610 ZINC45348183 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63506 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(c1)C#N InChI=1S/C19H16N6O/c1-12-4-3-7-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-6-2-5-13(8-14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25) JUZVEXMCTHOVQC-UHFFFAOYSA-N 35818 pyrimidine-4-carboxamide, 86 Adenosine receptor A1 Homo sapiens 395 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35818&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520969 85856611 ZINC45348186 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63507 COc1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C13H15N5O2/c1-8-4-3-5-15-10(8)7-16-12(19)9-6-11(20-2)18-13(14)17-9/h3-6H,7H2,1-2H3,(H,16,19)(H2,14,17,18) FUTWRVQKLRHQKJ-UHFFFAOYSA-N 35819 pyrimidine-4-carboxamide, 88 Adenosine receptor A1 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35819&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520970 85856612 ZINC45393396 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63508 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ccccn2)c1C InChI=1S/C17H17N5O2/c1-10-6-7-13(24-10)14-11(2)15(22-17(18)21-14)16(23)20-9-12-5-3-4-8-19-12/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22) YRCMAVSQCRYFRB-UHFFFAOYSA-N 35820 pyrimidine-4-carboxamide, 91 Adenosine receptor A1 Homo sapiens 314 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35820&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520971 85856613 ZINC45365889 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63509 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ccccn1 InChI=1S/C18H19N5O2/c1-3-13-15(14-8-7-11(2)25-14)22-18(19)23-16(13)17(24)21-10-12-6-4-5-9-20-12/h4-9H,3,10H2,1-2H3,(H,21,24)(H2,19,22,23) HZJBTXVDTJIKKZ-UHFFFAOYSA-N 35821 pyrimidine-4-carboxamide, 93 Adenosine receptor A1 Homo sapiens 435 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35821&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520972 85856614 ZINC45348581 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63510 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ncccc2C)c1C InChI=1S/C18H19N5O2/c1-10-5-4-8-20-13(10)9-21-17(24)16-12(3)15(22-18(19)23-16)14-7-6-11(2)25-14/h4-8H,9H2,1-3H3,(H,21,24)(H2,19,22,23) CIVPEXGIYUUOTF-UHFFFAOYSA-N 35822 pyrimidine-4-carboxamide, 92 Adenosine receptor A1 Homo sapiens 576 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35822&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520973 85856615 ZINC45339922 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63511 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ncccc1C InChI=1S/C19H21N5O2/c1-4-13-16(15-8-7-12(3)26-15)23-19(20)24-17(13)18(25)22-10-14-11(2)6-5-9-21-14/h5-9H,4,10H2,1-3H3,(H,22,25)(H2,20,23,24) YOVOVQDSVQMVGL-UHFFFAOYSA-N 35823 pyrimidine-4-carboxamide, 94 Adenosine receptor A1 Homo sapiens 504 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35823&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520974 85856616 ZINC45393421 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63512 Cc1ccc(o1)-c1cc(ncn1)C(=O)NCc1ccccn1 InChI=1S/C16H14N4O2/c1-11-5-6-15(22-11)13-8-14(20-10-19-13)16(21)18-9-12-4-2-3-7-17-12/h2-8,10H,9H2,1H3,(H,18,21) WIWUJNVPPHZIBJ-UHFFFAOYSA-N 35824 pyrimidine-4-carboxamide, 101 Adenosine receptor A1 Homo sapiens 2545 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35824&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520975 85856617 ZINC45348044 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63513 Cc1ccc(o1)-c1cc(nc(C)n1)C(=O)NCc1ccccn1 InChI=1S/C17H16N4O2/c1-11-6-7-16(23-11)14-9-15(21-12(2)20-14)17(22)19-10-13-5-3-4-8-18-13/h3-9H,10H2,1-2H3,(H,19,22) IUZJLAZMQMGQLI-UHFFFAOYSA-N 35825 pyrimidine-4-carboxamide, 102 Adenosine receptor A1 Homo sapiens 4212 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35825&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11404060 85856618 ZINC45348047 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63514 CC(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1 InChI=1S/C19H20N4O2/c1-12(2)18-22-15(17-8-7-13(3)25-17)10-16(23-18)19(24)21-11-14-6-4-5-9-20-14/h4-10,12H,11H2,1-3H3,(H,21,24) DLQORZCPFGRCDA-UHFFFAOYSA-N 35826 pyrimidine-4-carboxamide, 103 Adenosine receptor A1 Homo sapiens 1086 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35826&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11290634 85856619 ZINC45348851 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63515 CNc1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1 InChI=1S/C17H17N5O2/c1-11-6-7-15(24-11)13-9-14(22-17(18-2)21-13)16(23)20-10-12-5-3-4-8-19-12/h3-9H,10H2,1-2H3,(H,20,23)(H,18,21,22) HBWXRCCGCWQONM-UHFFFAOYSA-N 35827 pyrimidine-4-carboxamide, 109 Adenosine receptor A1 Homo sapiens 151 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35827&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11324754 85856620 ZINC45390043 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63516 CN(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1 InChI=1S/C18H19N5O2/c1-12-7-8-16(25-12)14-10-15(22-18(21-14)23(2)3)17(24)20-11-13-6-4-5-9-19-13/h4-10H,11H2,1-3H3,(H,20,24) INYFOQAJCACBLY-UHFFFAOYSA-N 35828 pyrimidine-4-carboxamide, 110 Adenosine receptor A1 Homo sapiens 1401 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35828&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11416448 85856621 ZINC45353182 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63517 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1 InChI=1S/C17H17N5O2/c1-10-4-3-5-12(20-10)9-19-16(23)14-8-13(21-17(18)22-14)15-7-6-11(2)24-15/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22) JWJMIQCWBFWBLV-UHFFFAOYSA-N 35829 pyrimidine-4-carboxamide, 111 Adenosine receptor A1 Homo sapiens 133 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35829&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520976 85856622 ZINC45387310 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63518 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1nc(C)ccc1C InChI=1S/C18H19N5O2/c1-10-4-5-11(2)21-15(10)9-20-17(24)14-8-13(22-18(19)23-14)16-7-6-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23) IHJMUJRGBAZKRS-UHFFFAOYSA-N 35830 pyrimidine-4-carboxamide, 112 Adenosine receptor A1 Homo sapiens 77.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35830&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520977 85856623 ZINC45394082 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63519 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)cc(C)n1 InChI=1S/C18H19N5O2/c1-10-6-11(2)21-13(7-10)9-20-17(24)15-8-14(22-18(19)23-15)16-5-4-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23) HPDQBZCPEASACQ-UHFFFAOYSA-N 35831 pyrimidine-4-carboxamide, 113 Adenosine receptor A1 Homo sapiens 57 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35831&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520978 85856624 ZINC45392432 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63520 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)c(C)n1 InChI=1S/C18H19N5O2/c1-10-4-6-13(21-12(10)3)9-20-17(24)15-8-14(22-18(19)23-15)16-7-5-11(2)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23) YRRBXUFUNLNHRS-UHFFFAOYSA-N 35832 pyrimidine-4-carboxamide, 114 Adenosine receptor A1 Homo sapiens 89 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35832&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520979 85856625 ZINC45392875 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63521 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C InChI=1S/C16H17N5O2/c1-10-5-6-14(23-10)12-8-13(20-16(17)19-12)15(22)18-9-11-4-3-7-21(11)2/h3-8H,9H2,1-2H3,(H,18,22)(H2,17,19,20) ZGQWFONFARBCNF-UHFFFAOYSA-N 35833 pyrimidine-4-carboxamide, 115 Adenosine receptor A1 Homo sapiens 172 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35833&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520980 85856626 ZINC45339917 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63522 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1 InChI=1S/C15H15N5O2/c1-9-4-5-13(22-9)11-7-12(20-15(16)19-11)14(21)18-8-10-3-2-6-17-10/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,19,20) OHYATDXPRIBEDD-UHFFFAOYSA-N 35834 pyrimidine-4-carboxamide, 116 Adenosine receptor A1 Homo sapiens 270 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35834&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520981 85856627 ZINC45365893 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63433 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl InChI=1S/C15H12ClN5O2/c16-10-5-2-1-4-9(10)8-18-14(22)13-19-12(20-15(17)21-13)11-6-3-7-23-11/h1-7H,8H2,(H,18,22)(H2,17,19,20,21) AGTOBZALEHSBGN-UHFFFAOYSA-N 35774 triazine-4-carboxamide, 6 Adenosine receptor A1 Homo sapiens 41 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35774&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520931 85856567 ZINC45386239 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63434 Cc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1 InChI=1S/C16H15N5O2/c1-10-5-2-3-6-11(10)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21) YXYNAESRRXRVGH-UHFFFAOYSA-N 35775 triazine-4-carboxamide, 7 Adenosine receptor A1 Homo sapiens 105 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35775&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520932 85856568 ZINC45350838 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63435 Cc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)c1 InChI=1S/C16H15N5O2/c1-10-4-2-5-11(8-10)9-18-15(22)14-19-13(20-16(17)21-14)12-6-3-7-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21) MBBZWYJSVSKEGK-UHFFFAOYSA-N 35776 triazine-4-carboxamide, 8 Adenosine receptor A1 Homo sapiens 103 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35776&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520933 85856569 ZINC45351602 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63436 COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1 InChI=1S/C16H15N5O3/c1-23-11-6-3-2-5-10(11)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21) SVNKUTHNUMDRJT-UHFFFAOYSA-N 35777 triazine-4-carboxamide, 9 Adenosine receptor A1 Homo sapiens 202 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35777&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520934 85856570 ZINC45348000 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63437 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccn1 InChI=1S/C14H12N6O2/c15-14-19-11(10-5-3-7-22-10)18-12(20-14)13(21)17-8-9-4-1-2-6-16-9/h1-7H,8H2,(H,17,21)(H2,15,18,19,20) HGJLLUQYSGTCKV-UHFFFAOYSA-N 35778 triazine-4-carboxamide, 10 Adenosine receptor A1 Homo sapiens 223 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35778&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520935 85856571 ZINC45389515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63438 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1cccnc1 InChI=1S/C14H12N6O2/c15-14-19-11(10-4-2-6-22-10)18-12(20-14)13(21)17-8-9-3-1-5-16-7-9/h1-7H,8H2,(H,17,21)(H2,15,18,19,20) HHWVHFMQYVXKIH-UHFFFAOYSA-N 35779 triazine-4-carboxamide, 11 Adenosine receptor A1 Homo sapiens 409 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35779&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520936 85856572 ZINC45352628 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63439 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccncc1 InChI=1S/C14H12N6O2/c15-14-19-11(10-2-1-7-22-10)18-12(20-14)13(21)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,21)(H2,15,18,19,20) HOVBRZHJQAGWFD-UHFFFAOYSA-N 35780 triazine-4-carboxamide, 12 Adenosine receptor A1 Homo sapiens 586 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35780&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520937 85856573 ZINC45353750 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63440 Cc1cccnc1CNC(=O)c1nc(N)nc(n1)-c1ccco1 InChI=1S/C15H14N6O2/c1-9-4-2-6-17-10(9)8-18-14(22)13-19-12(20-15(16)21-13)11-5-3-7-23-11/h2-7H,8H2,1H3,(H,18,22)(H2,16,19,20,21) AIOIYFXDTRSDOY-UHFFFAOYSA-N 35781 triazine-4-carboxamide, 13 Adenosine receptor A1 Homo sapiens 1112 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35781&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520938 85856574 ZINC45347440 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63441 COCc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)n1 InChI=1S/C16H16N6O3/c1-24-9-11-5-2-4-10(19-11)8-18-15(23)14-20-13(21-16(17)22-14)12-6-3-7-25-12/h2-7H,8-9H2,1H3,(H,18,23)(H2,17,20,21,22) AUBIOACYLHNVOM-UHFFFAOYSA-N 35782 triazine-4-carboxamide, 14 Adenosine receptor A1 Homo sapiens 595 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35782&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520939 85856575 ZINC45348330 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63442 Cc1cccnc1CNC(=O)c1cc(N)nc(c1)-c1ccco1 InChI=1S/C17H16N4O2/c1-11-4-2-6-19-14(11)10-20-17(22)12-8-13(21-16(18)9-12)15-5-3-7-23-15/h2-9H,10H2,1H3,(H2,18,21)(H,20,22) RMUWNKIJDZFMFI-UHFFFAOYSA-N 35783 pyridyl derivative, 15 Adenosine receptor A1 Homo sapiens 921 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35783&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520940 85856576 ZINC45389598 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63443 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 InChI=1S/C16H15N5O2/c1-10-4-2-6-18-13(10)9-19-15(22)12-8-11(20-16(17)21-12)14-5-3-7-23-14/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21) ALJHDNNRZIJMJX-UHFFFAOYSA-N 35784 pyrimidine-4-carboxamide, 19::pyrimidine-4-carboxamide, 26 Adenosine receptor A1 Homo sapiens 97 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35784&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11220580 85856577 ZINC45349497 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63444 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1 InChI=1S/C15H13N5O2/c16-15-19-11(13-5-3-7-22-13)8-12(20-15)14(21)18-9-10-4-1-2-6-17-10/h1-8H,9H2,(H,18,21)(H2,16,19,20) BENBHTCDSUCPSQ-UHFFFAOYSA-N 35785 pyrimidine-4-carboxamide, 25 Adenosine receptor A1 Homo sapiens 122 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35785&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11426423 85856578 ZINC43016852 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63445 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C16H15N5O2/c1-10-5-6-14(23-10)12-8-13(21-16(17)20-12)15(22)19-9-11-4-2-3-7-18-11/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21) LJKPWPQGCKKQKY-UHFFFAOYSA-N 35786 pyrimidine-4-carboxamide, 27 Adenosine receptor A1 Homo sapiens 222 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35786&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520941 85856579 ZINC45390699 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63446 Cc1csc(n1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C15H14N6OS/c1-9-8-23-14(19-9)12-6-11(20-15(16)21-12)13(22)18-7-10-4-2-3-5-17-10/h2-6,8H,7H2,1H3,(H,18,22)(H2,16,20,21) ZLJVKUREXANFJJ-UHFFFAOYSA-N 35787 pyrimidine-4-carboxamide, 38 Adenosine receptor A1 Homo sapiens 463 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35787&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11313388 85856580 ZINC45352462 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63447 Nc1nc(cc(n1)-c1ccccc1)C(=O)NCc1ccccn1 InChI=1S/C17H15N5O/c18-17-21-14(12-6-2-1-3-7-12)10-15(22-17)16(23)20-11-13-8-4-5-9-19-13/h1-10H,11H2,(H,20,23)(H2,18,21,22) JEPXTONICDQEJX-UHFFFAOYSA-N 35788 pyrimidine-4-carboxamide, 57 Adenosine receptor A1 Homo sapiens 66 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35788&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520942 85856581 ZINC45353754 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63448 Nc1nc(cc(n1)-c1ccccc1F)C(=O)NCc1ccccn1 InChI=1S/C17H14FN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23) VYYOZWHQGQCBOI-UHFFFAOYSA-N 35789 pyrimidine-4-carboxamide, 59 Adenosine receptor A1 Homo sapiens 48 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35789&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520943 85856582 ZINC45393416 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63449 Nc1nc(cc(n1)-c1cccc(F)c1)C(=O)NCc1ccccn1 InChI=1S/C17H14FN5O/c18-12-5-3-4-11(8-12)14-9-15(23-17(19)22-14)16(24)21-10-13-6-1-2-7-20-13/h1-9H,10H2,(H,21,24)(H2,19,22,23) KFWWKUUBQRSFND-UHFFFAOYSA-N 35790 pyrimidine-4-carboxamide, 61 Adenosine receptor A1 Homo sapiens 38 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35790&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520944 85856583 ZINC45348885 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63450 Nc1nc(cc(n1)-c1ccccc1Cl)C(=O)NCc1ccccn1 InChI=1S/C17H14ClN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23) ZOBXTLODGZOFPM-UHFFFAOYSA-N 35791 pyrimidine-4-carboxamide, 63 Adenosine receptor A1 Homo sapiens 408 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35791&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520945 85856584 ZINC45351391 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63451 Nc1nc(cc(n1)-c1cccc(Cl)c1)C(=O)NCc1ccccn1 InChI=1S/C17H14ClN5O/c18-12-5-3-4-11(8-12)14-9-15(23-17(19)22-14)16(24)21-10-13-6-1-2-7-20-13/h1-9H,10H2,(H,21,24)(H2,19,22,23) MZLFUELYEBOKJZ-UHFFFAOYSA-N 35792 pyrimidine-4-carboxamide, 65 Adenosine receptor A1 Homo sapiens 40 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35792&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520946 85856585 ZINC45388436 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63452 Cc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O/c1-12-6-2-3-8-14(12)15-10-16(23-18(19)22-15)17(24)21-11-13-7-4-5-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) BRHAJSILNCYGDB-UHFFFAOYSA-N 35793 pyrimidine-4-carboxamide, 67 Adenosine receptor A1 Homo sapiens 1377 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35793&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520947 85856586 ZINC45349605 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63453 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)15-10-16(23-18(19)22-15)17(24)21-11-14-7-2-3-8-20-14/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) DYMSEOCOAQDMJQ-UHFFFAOYSA-N 35794 pyrimidine-4-carboxamide, 69 Adenosine receptor A1 Homo sapiens 67 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35794&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520948 85856587 ZINC45339854 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63454 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O/c1-12-5-7-13(8-6-12)15-10-16(23-18(19)22-15)17(24)21-11-14-4-2-3-9-20-14/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) FINPWYXFHAASPZ-UHFFFAOYSA-N 35795 pyrimidine-4-carboxamide, 71 Adenosine receptor A1 Homo sapiens 118 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35795&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520949 85856588 ZINC45348644 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63455 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O2/c1-25-16-8-3-2-7-13(16)14-10-15(23-18(19)22-14)17(24)21-11-12-6-4-5-9-20-12/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) ZVYYCMRDDCYZAU-UHFFFAOYSA-N 35796 pyrimidine-4-carboxamide, 73 Adenosine receptor A1 Homo sapiens 1242 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35796&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520950 85856589 ZINC45391240 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63456 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O2/c1-25-14-7-4-5-12(9-14)15-10-16(23-18(19)22-15)17(24)21-11-13-6-2-3-8-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) AWIQRLYARUXAKO-UHFFFAOYSA-N 35797 pyrimidine-4-carboxamide, 75 Adenosine receptor A1 Homo sapiens 252 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35797&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520951 85856590 ZINC45339713 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63457 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O2/c1-25-14-7-5-12(6-8-14)15-10-16(23-18(19)22-15)17(24)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) POKSLRNNWIKCRY-UHFFFAOYSA-N 35798 pyrimidine-4-carboxamide, 77 Adenosine receptor A1 Homo sapiens 478 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35798&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520952 85856591 ZINC45358431 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63458 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C19H19N5O/c1-2-13-7-3-4-9-15(13)16-11-17(24-19(20)23-16)18(25)22-12-14-8-5-6-10-21-14/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24) JMEKQHQAVWJJPL-UHFFFAOYSA-N 35799 pyrimidine-4-carboxamide, 79 Adenosine receptor A1 Homo sapiens >10000 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35799&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520953 85856592 ZINC45349983 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63459 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C19H19N5O2/c1-2-26-17-9-4-3-8-14(17)15-11-16(24-19(20)23-15)18(25)22-12-13-7-5-6-10-21-13/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24) OKSUQKCATVFMCK-UHFFFAOYSA-N 35800 pyrimidine-4-carboxamide, 81 Adenosine receptor A1 Homo sapiens 9171 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35800&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520954 85856593 ZINC45393682 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63460 Nc1nc(cc(n1)-c1ccccc1C#N)C(=O)NCc1ccccn1 InChI=1S/C18H14N6O/c19-10-12-5-1-2-7-14(12)15-9-16(24-18(20)23-15)17(25)22-11-13-6-3-4-8-21-13/h1-9H,11H2,(H,22,25)(H2,20,23,24) OIVQQVIEMBGOIS-UHFFFAOYSA-N 35801 pyrimidine-4-carboxamide, 83 Adenosine receptor A1 Homo sapiens 1670 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35801&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520955 85856594 ZINC45390087 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63461 Nc1nc(cc(n1)-c1cccc(c1)C#N)C(=O)NCc1ccccn1 InChI=1S/C18H14N6O/c19-10-12-4-3-5-13(8-12)15-9-16(24-18(20)23-15)17(25)22-11-14-6-1-2-7-21-14/h1-9H,11H2,(H,22,25)(H2,20,23,24) VUEUUBBKHHONJA-UHFFFAOYSA-N 35802 pyrimidine-4-carboxamide, 85 Adenosine receptor A1 Homo sapiens 504 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35802&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11427490 85856595 ZINC45386266 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63462 COc1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C12H13N5O2/c1-19-10-6-9(16-12(13)17-10)11(18)15-7-8-4-2-3-5-14-8/h2-6H,7H2,1H3,(H,15,18)(H2,13,16,17) HKDRLLSZDIGQIK-UHFFFAOYSA-N 35803 pyrimidine-4-carboxamide, 87 Adenosine receptor A1 Homo sapiens >10000 7.5 21.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35803&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520956 85856596 ZINC45393361 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63553 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)n1C InChI=1S/C17H19N5O2/c1-10-4-6-12(22(10)3)9-19-16(23)14-8-13(20-17(18)21-14)15-7-5-11(2)24-15/h4-8H,9H2,1-3H3,(H,19,23)(H2,18,20,21) LEABFFRGVMYHEL-UHFFFAOYSA-N 35835 pyrimidine-4-carboxamide, 117 Adenosine receptor A1 Homo sapiens 166 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35835&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11381773 85856628 ZINC45393653 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63554 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1 InChI=1S/C14H14N6O2/c1-8-2-3-11(22-8)9-6-10(20-14(15)19-9)13(21)18-7-12-16-4-5-17-12/h2-6H,7H2,1H3,(H,16,17)(H,18,21)(H2,15,19,20) HHRCJSSFNCDUDD-UHFFFAOYSA-N 35836 pyrimidine-4-carboxamide, 118 Adenosine receptor A1 Homo sapiens 368 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35836&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520982 85856629 ZINC45339940 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63555 CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1 InChI=1S/C16H18N6O2/c1-3-22-7-6-18-14(22)9-19-15(23)12-8-11(20-16(17)21-12)13-5-4-10(2)24-13/h4-8H,3,9H2,1-2H3,(H,19,23)(H2,17,20,21) QSZUYZGRKRZVOG-UHFFFAOYSA-N 35837 pyrimidine-4-carboxamide, 119 Adenosine receptor A1 Homo sapiens 385 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35837&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520983 85856630 ZINC45389757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63556 CCCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1 InChI=1S/C17H20N6O2/c1-3-7-23-8-6-19-15(23)10-20-16(24)13-9-12(21-17(18)22-13)14-5-4-11(2)25-14/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,24)(H2,18,21,22) PAFRDJZWUBUWJO-UHFFFAOYSA-N 35838 pyrimidine-4-carboxamide, 120 Adenosine receptor A1 Homo sapiens 277 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35838&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520984 85856631 ZINC45350929 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63557 CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1 InChI=1S/C17H20N6O2/c1-10(2)23-7-6-19-15(23)9-20-16(24)13-8-12(21-17(18)22-13)14-5-4-11(3)25-14/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22) FOBLNBXDRQYXQV-UHFFFAOYSA-N 35839 pyrimidine-4-carboxamide, 121 Adenosine receptor A1 Homo sapiens 270 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35839&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520985 85856632 ZINC45350933 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63558 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)on1 InChI=1S/C15H15N5O3/c1-8-3-4-13(22-8)11-6-12(19-15(16)18-11)14(21)17-7-10-5-9(2)23-20-10/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19) XLBMHRLYCRFBSP-UHFFFAOYSA-N 35840 pyrimidine-4-carboxamide, 122 Adenosine receptor A1 Homo sapiens 299 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35840&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11232232 85856633 ZINC45349100 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63559 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1csc(C)n1 InChI=1S/C15H15N5O2S/c1-8-3-4-13(22-8)11-5-12(20-15(16)19-11)14(21)17-6-10-7-23-9(2)18-10/h3-5,7H,6H2,1-2H3,(H,17,21)(H2,16,19,20) IASIGJTVTSPGAJ-UHFFFAOYSA-N 35841 pyrimidine-4-carboxamide, 123 Adenosine receptor A1 Homo sapiens 72.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35841&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520986 85856634 ZINC62260191 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63560 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 InChI=1S/C16H15N5O2/c1-10-4-2-6-18-13(10)9-19-15(22)12-8-11(20-16(17)21-12)14-5-3-7-23-14/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21) ALJHDNNRZIJMJX-UHFFFAOYSA-N 35784 pyrimidine-4-carboxamide, 19::pyrimidine-4-carboxamide, 26 Adenosine receptor A1 Homo sapiens 97 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35784&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11220580 85856577 ZINC45349497 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63561 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C17H17N5O2/c1-10-4-3-7-19-14(10)9-20-16(23)13-8-12(21-17(18)22-13)15-6-5-11(2)24-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22) DXUBNDHKMQSSDJ-UHFFFAOYSA-N 35843 pyrimidine-4-carboxamide, 28 Adenosine receptor A1 Homo sapiens 90 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35843&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520987 85856636 ZINC45390104 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63562 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1nccs1 InChI=1S/C15H14N6OS/c1-9-3-2-4-17-12(9)8-19-13(22)10-7-11(21-15(16)20-10)14-18-5-6-23-14/h2-7H,8H2,1H3,(H,19,22)(H2,16,20,21) ZIBFIKFAZLBDKX-UHFFFAOYSA-N 35844 pyrimidine-4-carboxamide, 37 Adenosine receptor A1 Homo sapiens 74 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35844&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11404621 85856637 ZINC62260193 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 63563 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1 InChI=1S/C18H17N5O/c1-12-6-5-9-20-16(12)11-21-17(24)15-10-14(22-18(19)23-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) UKTAKBCSHJYUMF-UHFFFAOYSA-N 35845 pyrimidine-4-carboxamide, 58 Adenosine receptor A1 Homo sapiens 38 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35845&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520988 85856638 ZINC45339715 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111319 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 6.8 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111320 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 DTOLQAAOQFVVFW-QRIDJOKKSA-N 59202 Adenosine analog, 5 Adenosine receptor A1 Homo sapiens 775 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59202&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348047 125082168 ZINC70460327 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111321 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12 InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 QMUIGEKTFVSTGA-FLNNQWSLSA-N 50208817 (2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::Adenosine analog, 6::CHEMBL376542 Adenosine receptor A1 Homo sapiens 7.0 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208817&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44420926 104085776 CHEMBL376542 ZINC28636726 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111322 NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 DBXIKHHFPUCMQL-LKCKTBJASA-N 50185934 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbohydrazide::Adenosine analog, 7::CHEMBL378606 Adenosine receptor A1 Homo sapiens 171 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185934&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44410673 104070004 CHEMBL378606 ZINC13686330 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111323 NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 XZUQLQNOMFGRFJ-FLNNQWSLSA-N 50106539 (2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(2-aminoethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE::5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::Adenosine analog, 1::CHEMBL129903 Adenosine receptor A1 Homo sapiens 245 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106539&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search N5A 6CYH,2HCH 9996282 104002061 CHEMBL129903 ZINC12405551 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111324 NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 JLQSFLXHRJZVNM-QRIDJOKKSA-N 59203 Adenosine analog, 8 Adenosine receptor A1 Homo sapiens >100000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59203&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348048 125082169 ZINC70460328 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111325 NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 FMPFVQVSAXMKDU-AEISUSGSSA-N 59204 Adenosine analog, 9 Adenosine receptor A1 Homo sapiens >100000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59204&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348049 125082170 ZINC70460329 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111326 NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 PAEOZPIVFGUKPF-BQVMBELUSA-N 59205 Adenosine analog, 10 Adenosine receptor A1 Homo sapiens >100000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59205&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348050 125082171 ZINC70460330 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111327 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 YLPQAZPIFSHMAY-FLNNQWSLSA-N 59206 Adenosine analog, 11 Adenosine receptor A1 Homo sapiens 12.8 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59206&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search N5O 6CYI,6CYG,2HG1 215492 125082172 C04080 ZINC16052124 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111328 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 FCSCDOVNNDCDKF-MOROJQBDSA-N 59207 Adenosine analog, 12 Adenosine receptor A1 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59207&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348051 125082173 ZINC70460332 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111329 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 HBTMNVJREDWGSK-KSVNGYGVSA-N 59208 Adenosine analog, 13 Adenosine receptor A1 Homo sapiens 106 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59208&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348052 125082174 ZINC70460336 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111330 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 KEGQUROXCLNXBX-KSVNGYGVSA-N 59209 Adenosine analog, 14 Adenosine receptor A1 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59209&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348053 125082175 ZINC70460338 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111331 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 WUVAIRDBJKHCIR-KSVNGYGVSA-N 59210 Adenosine analog, 15 Adenosine receptor A1 Homo sapiens 368 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59210&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348054 125082176 C04080 ZINC70460341 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111332 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 OOEMZCZWZXHBKW-SCFUHWHPSA-N 50080390 (2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-methyl-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::Adenosine analog, 16::CHEMBL331382::Metrifudil Adenosine receptor A1 Homo sapiens 39.3 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080390&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 65710 103980561 CHEMBL331382 426 ZINC04216929 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111333 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 XTJPMALIPQWXDY-KQYNXXCUSA-N 50163021 (2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::Adenosine analog, 17::CHEMBL194830 Adenosine receptor A1 Homo sapiens 484 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163021&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44401604 104049114 CHEMBL194830 ZINC13611525 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111334 CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 DZHOOXNMNPJRGD-JJNLEZRASA-N 59211 Adenosine analog, 18 Adenosine receptor A1 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59211&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348055 125082177 ZINC70460345 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 111335 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 NLKPPHOTIAKVAY-AWVSEGNVSA-N 59212 Adenosine analog, 19 Adenosine receptor A1 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59212&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53348056 125082178 ZINC70460347 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 159693 CN1CCC[C@H]1c1cc(C)no1 InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1 ILLGYRJAYAAAEW-QMMMGPOBSA-N 50035398 (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidinium::(S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole::3-Methyl-5-((S)-1-methyl-pyrrolidin-2-yl)-isoxazole::ABT-418::CHEMBL274525 Adenosine receptor A1 Homo sapiens >10000 PDSP Ki 10.7270/Q2HH6HKJ 7518514 Arneric, SP; Sullivan, JP; Briggs, CA; Donnelly-Roberts, D; Anderson, DJ; Raszkiewicz, JL; Hughes, ML; Cadman, ED; Adams, P; Garvey, DS Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035398&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 119380 103943417 CHEMBL274525 ZINC03786099 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 172581 C(Oc1cccnc1)[C@@H]1CCN1 InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1 XKFMBGWHHBCWCD-QMMMGPOBSA-N 50049750 (S)-3-(azetidin-2-ylmethoxy)pyridine::3-((S)-1-Azetidin-2-ylmethoxy)-pyridine::A-159470::A-85380::CHEMBL59986 Adenosine receptor A1 Homo sapiens >10000 PDSP Ki 10.1016/0028-3908(96)84644-2 10.7270/Q237777N 8887981 Sullivan, JP; Donnelly-Roberts, D; Briggs, CA; Anderson, DJ; Gopalakrishnan, M; Piattoni-Kaplan, M; Campbell, JE; McKenna, DG; Molinari, E; Hettinger, AM; Garvey, DS; Wasicak, JT; Holladay, MW; Williams, M; Arneric, SP Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049750&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5310969 103980061 CHEMBL59986 5460 ZINC03805142 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 173475 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+ UGCOFEOEBHUEHA-JXMROGBWSA-N 85036 BW-A1433::BWA1433::CAS_129447::NSC_129447 Adenosine receptor A1 Homo sapiens 120 PDSP Ki 10.7270/Q2J67FFH 8996189 Hill, RJ; Oleynek, JJ; Hoth, CF; Kiron, MA; Weng, W; Wester, RT; Tracey, WR; Knight, DR; Buchholz, RA; Kennedy, SP Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85036&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6439089 136351136 ZINC05114734 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 175719 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1 SUGVYNSRNKFXQM-ACSDJOOWSA-N 21280 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]-1H-pyrazole-3-carboxamide::N-(1,3,3-trimethylbicyclo(2.2.1)heptan-2-yl)-5-(4-chloro-3-methylphenyl)-1-(4-methylbenzyl)pyrazole-3-carboxamide::SR 144528::SR-144528::SR144528 Adenosine receptor A1 Homo sapiens >10000 PDSP Ki 10.7270/Q2D50KHT 9454810 Rinaldi-Carmona, M; Barth, F; Millan, J; Derocq, JM; Casellas, P; Congy, C; Oustric, D; Sarran, M; Bouaboula, M; Calandra, B; Portier, M; Shire, D; Breliere, JC; Le Fur, GL Sanofi Recherche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21280&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21310426 49689352 ZINC03952700 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 178460 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A1 Homo sapiens 287 PDSP Ki 10.1007/pl00005326 10.7270/Q24F1P91 9933143 Ongini, E; Dionisotti, S; Gessi, S; Irenius, E; Fredholm, BB Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 178461 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A1 Homo sapiens 255 PDSP Ki 10.1007/pl00005326 10.7270/Q24F1P91 9933143 Ongini, E; Dionisotti, S; Gessi, S; Irenius, E; Fredholm, BB Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179364 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1 InChI=1S/C18H18N6O5/c1-2-20-17(27)14-12(25)13(26)18(29-14)24-8-21-11-15(19)22-10(23-16(11)24)6-5-9-4-3-7-28-9/h3-4,7-8,12-14,18,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23) YGJTXZLLALEEMC-UHFFFAOYSA-N 50034540 2-substituted NECA derivatives, 10::5-(6-Amino-2-furan-2-ylethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-{6-amino-2-[2-(furan-2-yl)ethynyl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Adenosine receptor A1 Homo sapiens 140 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034540&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44282861 103942732 ZINC36272487 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179365 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1 InChI=1S/C17H17N7O4S/c1-2-19-16(27)13-11(25)12(26)17(28-13)24-7-21-10-14(18)22-8(23-15(10)24)3-4-9-20-5-6-29-9/h5-7,11-13,17,25-26H,2H2,1H3,(H,19,27)(H2,18,22,23) GEERMPLJABIPET-UHFFFAOYSA-N 50034533 2-substituted NECA derivatives, 11::5-(6-Amino-2-thiazol-2-ylethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-{6-amino-2-[2-(1,3-thiazol-2-yl)ethynyl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Adenosine receptor A1 Homo sapiens 12 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034533&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44282843 103942725 ZINC36272459 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179366 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC1=CCCCC1 InChI=1S/C20H24N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h6,10,14-16,20,27-28H,2-5,7H2,1H3,(H,22,29)(H2,21,24,25) DJOLZUMDTLSSJV-UHFFFAOYSA-N 50041894 2-substituted NECA derivatives, 12::5-(6-Amino-2-cyclohex-1-enylethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A1 Homo sapiens 87 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041894&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44292964 103973573 ZINC36272732 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179367 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O InChI=1S/C21H21N7O5/c1-2-24-20(32)16-14(29)15(30)21(33-16)28-9-25-13-17(22)26-12(27-19(13)28)8-5-10-3-6-11(7-4-10)18(23)31/h3-4,6-7,9,14-16,21,29-30H,2H2,1H3,(H2,23,31)(H,24,32)(H2,22,26,27) SODZZEVQQQTQCC-UHFFFAOYSA-N 50034536 2-substituted NECA derivatives, 13::5-[6-Amino-2-(4-carbamoyl-phenylethynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-{6-amino-2-[2-(4-carbamoylphenyl)ethynyl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Adenosine receptor A1 Homo sapiens 200 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034536&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44283027 103942728 ZINC36272457 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179368 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1 InChI=1S/C23H24N6O6/c1-2-25-22(34)19-17(32)18(33)23(35-19)29-11-26-16-20(24)27-14(28-21(16)29)9-7-12-3-5-13(6-4-12)8-10-15(30)31/h3-6,11,17-19,23,32-33H,2,8,10H2,1H3,(H,25,34)(H,30,31)(H2,24,27,28) GARQAYNTACVSPU-UHFFFAOYSA-N 50034516 2-substituted NECA derivatives, 14::3-{4-[6-Amino-9-(5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylethynyl]-phenyl}-propionic acid Adenosine receptor A1 Homo sapiens 1000 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034516&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44282899 103942708 ZINC38149074 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179369 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCC#N InChI=1S/C18H21N7O4/c1-2-21-17(28)14-12(26)13(27)18(29-14)25-9-22-11-15(20)23-10(24-16(11)25)7-5-3-4-6-8-19/h9,12-14,18,26-27H,2-4,6H2,1H3,(H,21,28)(H2,20,23,24) DYUTVMYUMCFDOY-UHFFFAOYSA-N 50041901 2-substituted NECA derivatives, 2::5-[6-Amino-2-(5-cyano-pent-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A1 Homo sapiens 38 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041901&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44292969 103973580 ZINC36272747 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179370 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28) HJEMREITHZKJMZ-UHFFFAOYSA-N 50034513 2-substituted NECA derivatives, 3::5-[6-Amino-2-(5-phenyl-pent-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-[6-amino-2-(5-phenylpent-1-yn-1-yl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Adenosine receptor A1 Homo sapiens 180 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034513&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44282851 103942705 ZINC36272456 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179371 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCC(C)O InChI=1S/C17H22N6O5/c1-3-19-16(27)13-11(25)12(26)17(28-13)23-7-20-10-14(18)21-9(22-15(10)23)6-4-5-8(2)24/h7-8,11-13,17,24-26H,3,5H2,1-2H3,(H,19,27)(H2,18,21,22) MYRWWGHDNMTNMA-UHFFFAOYSA-N 50041895 2-substituted NECA derivatives, 4::5-[6-Amino-2-(4-hydroxy-pent-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A1 Homo sapiens 40 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041895&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44293364 103973574 ZINC36272933 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179372 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O InChI=1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21) GPCASTDOVZHXHU-UHFFFAOYSA-N 50041906 2-substituted NECA derivatives, 5::5-[6-Amino-2-(3-hydroxy-but-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A1 Homo sapiens 3.3 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041906&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44292742 103973585 ZINC36272908 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179373 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26) WOAZCBPWCCREDO-UHFFFAOYSA-N 50041905 5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-[6-amino-2-(3-hydroxy-3-phenylprop-1-yn-1-yl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::6, PHPNECA::R,S-PHPNECA Adenosine receptor A1 Homo sapiens 2.7 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041905&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44213772 103973584 ZINC36272881 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179374 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1 InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1 WOAZCBPWCCREDO-UQDAOCEXSA-N 50208801 (2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenylprop-1-ynyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::6R, (R)-PHPNECA::CHEMBL224874 Adenosine receptor A1 Homo sapiens 1.9 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208801&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 23757284 104085760 CHEMBL224874 ZINC12405624 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179375 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1 InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1 WOAZCBPWCCREDO-SWDFYPTCSA-N 85523 6S, (S)-PHPNECA Adenosine receptor A1 Homo sapiens 2.1 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85523&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57340155 136351623 ZINC36272881 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179376 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1 InChI=1S/C22H24N6O5/c1-3-24-20(31)17-15(29)16(30)21(33-17)28-11-25-14-18(23)26-13(27-19(14)28)9-10-22(2,32)12-7-5-4-6-8-12/h4-8,11,15-17,21,29-30,32H,3H2,1-2H3,(H,24,31)(H2,23,26,27) YUGNPNQJJOBKPP-UHFFFAOYSA-N 50041912 2-substituted NECA derivatives, 7::5-[6-Amino-2-(3-hydroxy-3-phenyl-but-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A1 Homo sapiens 9.4 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041912&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44292847 103973591 ZINC36272889 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179377 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCOc1ccccc1 InChI=1S/C21H22N6O5/c1-2-23-20(30)17-15(28)16(29)21(32-17)27-11-24-14-18(22)25-13(26-19(14)27)9-6-10-31-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,10H2,1H3,(H,23,30)(H2,22,25,26) DVQXUGVOZYMGAZ-UHFFFAOYSA-N 85524 2-substituted NECA derivatives, 8 Adenosine receptor A1 Homo sapiens 8 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85524&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57340156 136351624 ZINC89456429 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179378 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25) SWXXHYTUMIMRFO-UHFFFAOYSA-N 50034531 5-(6-Amino-2-phenylethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-[6-amino-2-(2-phenylethynyl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::9, PENECA Adenosine receptor A1 Homo sapiens 560 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034531&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44282897 103942723 ZINC36272516 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179379 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 14 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179414 CCCn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) SIQPXVQCUCHWDI-UHFFFAOYSA-N 50001493 3-Propyl-3,7-dihydro-purine-2,6-dione::3-Propyl-3,7-dihydro-purine-2,6-dione(enprofylline)::3-Propylxanthine (enprofylline)::CHEMBL279898::ENPROFYLLINE Adenosine receptor A1 Homo sapiens >10000 PDSP Ki 10.7270/Q2M9077B 10496952 Linden, J; Thai, T; Figler, H; Jin, X; Robeva, AS University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001493&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1676 103915958 126237 CHEMBL279898 DB00824 ZINC00403567 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179415 CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1 InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31) DKJMGIXWGPEEFF-UHFFFAOYSA-N 82558 CAS_163889::CHEMBL355370::I-ABOPX::NSC_163889 Adenosine receptor A1 Homo sapiens 70 PDSP Ki 10.7270/Q2M9077B 10496952 Linden, J; Thai, T; Figler, H; Jin, X; Robeva, AS University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82558&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 163889 136350528 CHEMBL355370 452 ZINC12405708 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179416 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A1 Homo sapiens 6200 PDSP Ki 10.7270/Q2M9077B 10496952 Linden, J; Thai, T; Figler, H; Jin, X; Robeva, AS University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 179417 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A1 Homo sapiens 536 PDSP Ki 10.7270/Q2M9077B 10496952 Linden, J; Thai, T; Figler, H; Jin, X; Robeva, AS University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 182742 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3 XMXHEBAFVSFQEX-UHFFFAOYSA-N 50034043 1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-phenyl)-ethanone::CHEMBL14376::ILOPERIDONE Adenosine receptor A1 Homo sapiens >10000 PDSP Ki 10.1016/S0893-133X(01)00285-8 10.7270/Q21V5CHQ 11750183 Kalkman, HO; Subramanian, N; Hoyer, D Novartis Pharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034043&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71360 103942259 65173 CHEMBL14376 DB04946 87 ZINC01548097 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 182802 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A1 Homo sapiens 1100 PDSP Ki 10.1124/mol.61.2.415 10.7270/Q28C9TT0 11809867 Gessi, S; Varani, K; Merighi, S; Cattabriga, E; Iannotta, V; Leung, E; Baraldi, PG; Borea, PA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 182803 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A1 Homo sapiens 287 PDSP Ki 10.1124/mol.61.2.415 10.7270/Q28C9TT0 11809867 Gessi, S; Varani, K; Merighi, S; Cattabriga, E; Iannotta, V; Leung, E; Baraldi, PG; Borea, PA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 182804 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A1 Homo sapiens 536 PDSP Ki 10.1124/mol.61.2.415 10.7270/Q28C9TT0 11809867 Gessi, S; Varani, K; Merighi, S; Cattabriga, E; Iannotta, V; Leung, E; Baraldi, PG; Borea, PA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 187975 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31) HMXDWDSNPRNUKI-UHFFFAOYSA-N 50171290 5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide::CHEMBL189676::SR 147778 Adenosine receptor A1 Homo sapiens 1000 PDSP Ki 10.1124/jpet.104.067884 10.7270/Q2RR1WTX 15131245 Rinaldi-Carmona, M; Barth, F; Congy, C; Martinez, S; Oustric, D; Pério, A; Poncelet, M; Maruani, J; Arnone, M; Finance, O; Soubrié, P; Le Fur, G Sanofi-Synthelabo Recherche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171290&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9849616 104057543 CHEMBL189676 ZINC01549068 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 189502 CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3 KYYIDSXMWOZKMP-UHFFFAOYSA-N 86748 CAS_386750-22-7::Desvenlafaxine::NSC_6918664::O-Desmethylvenlafaxine::US9944618, Compound ID No. 181 Adenosine receptor A1 Homo sapiens >10000 PDSP Ki 10.1124/jpet.106.103382 10.7270/Q2SF2TRS 16675639 Deecher, DC; Beyer, CE; Johnston, G; Bray, J; Shah, S; Abou-Gharbia, M; Andree, TH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86748&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 29J 4MMC,4MM7 125017 136352797 DB06700 ZINC02525885 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 189642 CN1C2C(Nc3cccnc23)C(=O)N(C)C1=O InChI=1S/C11H12N4O2/c1-14-9-7-6(4-3-5-12-7)13-8(9)10(16)15(2)11(14)17/h3-5,8-9,13H,1-2H3 FISGPZSJKWVZJC-UHFFFAOYSA-N 86759 2,4-dimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene-1,3-dione::CAS_44457473::NSC_44457473 Adenosine receptor A1 Homo sapiens 379 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86759&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44457473 136352808 ZINC29135803 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 189643 CN1C2C(N(C)C(=O)N(C)C2=O)c2ncccc12 InChI=1S/C12H14N4O2/c1-14-7-5-4-6-13-8(7)9-10(14)11(17)16(3)12(18)15(9)2/h4-6,9-10H,1-3H3 LFUCBZCFKRZWDB-UHFFFAOYSA-N 86762 2,5,9-trimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluorene-1,3-dione::CAS_44457466::NSC_44457466 Adenosine receptor A1 Homo sapiens >10000 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86762&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44457466 136352811 ZINC29135732 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 189644 Oc1c(Br)cc2[nH]c3cnccc3c2c1Br InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H UNIUKKWPGRGSRQ-UHFFFAOYSA-N 50207817 5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol::7-bromo-eudistomin D::CHEMBL272185 Adenosine receptor A1 Homo sapiens 7370 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207817&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127993 104085141 CHEMBL272185 ZINC05163004 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 189645 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine Adenosine receptor A1 Homo sapiens >10000 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10849&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search CFF 6JRS,1GFZ,3DDW,3DDS,3DD1,6TV4,6JIU,6JIY,6JII,6JI0,7M6L,7M6A,1C8L,6JHN,4Y4D,7D7K,7D7L,1L7X,6M2W,7PBB,1L5Q,6QTL,5T9V,6SF9,6ICN,6ICP,5TAL,5TAT,5TAU,5TAP,3RFM,3G6M,6JRR,5TAM,5TAN,5TAV,5TAQ,2A3B,7TZC,5MZP,6UG4,5TAS,5TA3 2519 46511425 27732 CHEMBL113 DB00201 407 C07481 ZINC00001084 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 189646 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) FIQGIOAELHTLHM-UHFFFAOYSA-N 50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC Adenosine receptor A1 Homo sapiens 9 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207816&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search XAC 3REY 5697 104085140 CHEMBL273094 404 ZINC28763883 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213160 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 SQMWSBKSHWARHU-SDBHATRESA-N 25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378 Adenosine receptor A1 Homo sapiens 2.3 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25400&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3GU 3GU8 657378 56374539 CHEMBL68738 ZINC03995996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213161 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A1 Homo sapiens 0.83 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213162 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 AQLVRTWKJDTWQQ-SDBHATRESA-N 97464 US8470800, A::US8609833, 17 Adenosine receptor A1 Homo sapiens 0.97 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97464&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11610599 164038708 ZINC35931662 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213163 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H19ClN6O6/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(28-14)5-27-22(25)26/h6-8,10-11,14,23-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 FFWYJZUZECPVFM-IDTAVKCVSA-N 97465 US8470800, B::US8609833, 85 Adenosine receptor A1 Homo sapiens 2.63 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97465&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49784880 164038709 ZINC43100738 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213164 O[C@@H]1[C@@H](COS(=O)(=O)O[Na])O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O7S.Na/c21-11-9(5-26-28(23,24)25)27-15(12(11)22)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8;/h6-9,11-12,15,21-22H,1-5H2,(H,16,17,19)(H,23,24,25);/q;+1/p-1/t9-,11-,12-,15-;/m1./s1 SYHNGKRBPFJKCW-DNBRLMRSSA-M 97466 US8470800, C Adenosine receptor A1 Homo sapiens 4.05 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49784881 164038710 ZINC43100747 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213165 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C14H18N6O7/c21-10-8(4-26-20(23)24)27-14(11(10)22)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-25-3-7/h5-8,10-11,14,21-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14-/m1/s1 QKLWYFLDTCIMJQ-HVMNINKTSA-N 97467 US8470800, D::US8609833, 93 Adenosine receptor A1 Homo sapiens 10.6 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97467&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49784884 164038711 ZINC96167345 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213166 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 InChI=1S/C16H22N6O6/c23-12-10(6-27-22(25)26)28-16(13(12)24)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,23-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 AVOAVUPMBQZWSP-XNIJJKJLSA-N 97468 US8470800, E Adenosine receptor A1 Homo sapiens 1.32 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97468&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49784977 164038712 ZINC96167346 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213167 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C17H22N6O6/c24-13-11(5-28-23(26)27)29-17(14(13)25)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1 QUSKOVZYBDIPDX-STHLEMNDSA-N 97469 US8470800, F Adenosine receptor A1 Homo sapiens 1.47 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97469&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49784883 164038713 ZINC96167348 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213168 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COS(=O)(=O)O[Na])n1cnc2c(NC3CCCCC3)nc(Cl)nc12 InChI=1S/C16H22ClN5O7S.Na/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(24)11(23)9(29-15)6-28-30(25,26)27;/h7-9,11-12,15,23-24H,1-6H2,(H,19,20,21)(H,25,26,27);/q;+1/p-1/t9-,11-,12-,15-;/m1./s1 XAPZDPQLAKDNLK-DNBRLMRSSA-M 97470 US8470800, G Adenosine receptor A1 Homo sapiens 1.36 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97470&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49784885 164038714 ZINC96167349 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 213169 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 InChI=1S/C16H21ClN6O6/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(25)11(24)9(29-15)6-28-23(26)27/h7-9,11-12,15,24-25H,1-6H2,(H,19,20,21)/t9-,11-,12-,15-/m1/s1 CBCZEDFNEMPVHY-SDBHATRESA-N 97471 US8470800, H Adenosine receptor A1 Homo sapiens 8 7.4 4.00 C US Patent 10.7270/Q2SQ8Z0M aid1799926 US8470800 Barman, S; Baumgartner, RA Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97471&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49784976 164038715 ZINC96167350 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 228560 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H19ClN6O6/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(28-14)5-27-22(25)26/h6-8,10-11,14,23-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 FFWYJZUZECPVFM-IDTAVKCVSA-N 97465 US8470800, B::US8609833, 85 Adenosine receptor A1 Homo sapiens 2.63 US Patent 10.7270/Q2125R9N aid1800223 US8609833 Jagtap, P; Szabo, C; Salzman, AL Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97465&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49784880 164038709 ZINC43100738 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 228561 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 AQLVRTWKJDTWQQ-SDBHATRESA-N 97464 US8470800, A::US8609833, 17 Adenosine receptor A1 Homo sapiens 0.97 US Patent 10.7270/Q2125R9N aid1800223 US8609833 Jagtap, P; Szabo, C; Salzman, AL Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97464&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11610599 164038708 ZINC35931662 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 228562 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O InChI=1S/C10H12N6O6/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(22-10)1-21-16(19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 QQVLEBJNJDLCJQ-KQYNXXCUSA-N 108256 CHEMBL2205239::US8609833, 87 Adenosine receptor A1 Homo sapiens 5.79 US Patent 10.7270/Q2125R9N aid1800223 US8609833 Jagtap, P; Szabo, C; Salzman, AL Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108256&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 18396087 186525126 CHEMBL2205239 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 228563 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O InChI=1S/C10H11ClN6O6/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(23-9)1-22-17(20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 KQCCXYDBPQBUNG-UUOKFMHZSA-N 108257 US8609833, 88 Adenosine receptor A1 Homo sapiens 7 US Patent 10.7270/Q2125R9N aid1800223 US8609833 Jagtap, P; Szabo, C; Salzman, AL Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108257&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 59789638 186525127 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 228564 O[C@@H]1[C@@H](CS([O-])(=O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O6S/c21-11-9(5-27(23,24)25)26-15(12(11)22)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-22H,1-5H2,(H,16,17,19)(H,23,24,25)/p-1/t9-,11-,12-,15-/m1/s1 KOJCBXLMZVHBHI-SDBHATRESA-M 108258 US8609833, 91 Adenosine receptor A1 Homo sapiens 4.05 US Patent 10.7270/Q2125R9N aid1800223 US8609833 Jagtap, P; Szabo, C; Salzman, AL Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108258&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91808702 186525128 C15521 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 228565 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C14H18N6O7/c21-10-8(4-26-20(23)24)27-14(11(10)22)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-25-3-7/h5-8,10-11,14,21-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14-/m1/s1 QKLWYFLDTCIMJQ-HVMNINKTSA-N 97467 US8470800, D::US8609833, 93 Adenosine receptor A1 Homo sapiens 10.6 US Patent 10.7270/Q2125R9N aid1800223 US8609833 Jagtap, P; Szabo, C; Salzman, AL Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=97467&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49784884 164038711 ZINC96167345 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 293129 C=CC(=O)Nc1cc2ccccc2oc1=O InChI=1S/C12H9NO3/c1-2-11(14)13-9-7-8-5-3-4-6-10(8)16-12(9)15/h2-7H,1H2,(H,13,14) OLVMBBCCJJVATF-UHFFFAOYSA-N 152526 N-(Coumarin-3-yl)acrylamide (2) Adenosine receptor A1 Homo sapiens 8.95e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152526&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91937746 252826777 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 293130 Oc1c(NC(=O)C=C)c(=O)oc2ccccc12 InChI=1S/C12H9NO4/c1-2-9(14)13-10-11(15)7-5-3-4-6-8(7)17-12(10)16/h2-6,15H,1H2,(H,13,14) BDBIVFHRDBXBPL-UHFFFAOYSA-N 152527 N-(4-Hydroxycoumarin-3-yl)acrylamide (3) Adenosine receptor A1 Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152527&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91937747 252826778 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 293131 O=C(Nc1cc2ccccc2oc1=O)c1ccccc1 InChI=1S/C16H11NO3/c18-15(11-6-2-1-3-7-11)17-13-10-12-8-4-5-9-14(12)20-16(13)19/h1-10H,(H,17,18) RXHSXTPNFVSJKM-UHFFFAOYSA-N 95955 MLS000693557::N-(2-ketochromen-3-yl)benzamide::N-(2-oxidanylidenechromen-3-yl)benzamide::N-(2-oxo-1-benzopyran-3-yl)benzamide::N-(2-oxochromen-3-yl)benzamide::SMR000285500::cid_252608 Adenosine receptor A1 Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=95955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=95955&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 252608 164037199 ZINC02565411 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 293132 Oc1c(NC(=O)c2ccccc2)c(=O)oc2ccccc12 InChI=1S/C16H11NO4/c18-14-11-8-4-5-9-12(11)21-16(20)13(14)17-15(19)10-6-2-1-3-7-10/h1-9,18H,(H,17,19) HURCDLKXVVGVLA-UHFFFAOYSA-N 152528 N-(4-hydroxycoumarin-3-yl)benzamide (5) Adenosine receptor A1 Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152528&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91937748 252826779 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 293133 O=C(Nc1cc2ccccc2oc1=O)c1cccnc1 InChI=1S/C15H10N2O3/c18-14(11-5-3-7-16-9-11)17-12-8-10-4-1-2-6-13(10)20-15(12)19/h1-9H,(H,17,18) BSPNWHVLUDHSIF-UHFFFAOYSA-N 152529 N-(coumarin-3-yl)nicotinamide (6) Adenosine receptor A1 Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152529&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91937749 252826780 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 293134 O=C(Nc1cc2ccccc2oc1=O)c1cccs1 InChI=1S/C14H9NO3S/c16-13(12-6-3-7-19-12)15-10-8-9-4-1-2-5-11(9)18-14(10)17/h1-8H,(H,15,16) FTTNTECCHYPEOG-UHFFFAOYSA-N 152530 N-(coumarin-3-yl)thiophene-2-carboxamide (7) Adenosine receptor A1 Homo sapiens 1.62e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152530&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4526012 252826781 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 293135 O=C(Nc1cc2ccccc2oc1=O)c1ccco1 InChI=1S/C14H9NO4/c16-13(12-6-3-7-18-12)15-10-8-9-4-1-2-5-11(9)19-14(10)17/h1-8H,(H,15,16) XUWWXDIKQJEACU-UHFFFAOYSA-N 152531 N-(Coumarin-3-yl)furan-2-carboxamide (8) Adenosine receptor A1 Homo sapiens 5.18e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152531&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91937750 252826782 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 298829 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O2S/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 QMJFSSNSVVHFPD-PMPKIWSKSA-N 156364 US9018371, 4 Adenosine receptor A1 Homo sapiens 2490 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156364&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 59356330 254802085 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 298830 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 InChI=1S/C16H16FN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 YDNYUMZDXCVVRT-GRLMSTMOSA-N 156370 US9018371, 11 Adenosine receptor A1 Homo sapiens 1430 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156370&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 59356320 254802091 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 298831 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 InChI=1S/C16H16ClN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 CKXSTCOOOXXOLA-GRLMSTMOSA-N 156371 US9018371, 12 Adenosine receptor A1 Homo sapiens 860 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156371&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 59356309 254802092 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 298832 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 InChI=1S/C16H16BrN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 YPCLFHBYRDLMJY-GRLMSTMOSA-N 156372 US9018371, 13 Adenosine receptor A1 Homo sapiens 790 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156372&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 59356323 254802093 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 298833 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C16H16IN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 IDVXTFYPPUNLDO-GRLMSTMOSA-N 156373 US9018371, 14 Adenosine receptor A1 Homo sapiens 530 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156373&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 59356305 254802094 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 312173 CCCOc1cc(N)nc(SCc2ccccc2)n1 InChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17) XZZJWUQBDNSKFM-UHFFFAOYSA-N 198127 4-amino-6-alkyloxy-2-benzylthiopyrimidines (4) Adenosine receptor A1 Homo sapiens 490 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802051 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198127&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24823756 318489200 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 312174 CC(C)COc1cc(N)nc(SCc2ccccc2)n1 InChI=1S/C15H19N3OS/c1-11(2)9-19-14-8-13(16)17-15(18-14)20-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18) OIJKJZPCNCXNCF-UHFFFAOYSA-N 198128 4-amino-6-alkyloxy-2-benzylthiopyrimidines (5) Adenosine receptor A1 Homo sapiens 870 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802051 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198128&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90681265 318489201 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 312175 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 3 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802051 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321359 COC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-4-6-10(7-5-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18) NEDDQPYELRWGIF-UHFFFAOYSA-N 175364 1,3-Dimethyl-8-[4-(2-methoxy-2-oxoethoxy)-phenyl]xanthine (13, RB-419) Adenosine receptor A1 Homo sapiens 319 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175364&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986874 313044137 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321360 COC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-5-4-6-10(7-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18) GNBBWIKMBBOXTN-UHFFFAOYSA-N 175365 1,3-Dimethyl-8-[3-(2-methoxy-2-oxoethoxy)-phenyl]xanthine (14, RB-374) Adenosine receptor A1 Homo sapiens 3.95e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175365&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986875 313044138 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321361 COC(=O)COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C17H18N4O6/c1-20-15-13(16(23)21(2)17(20)24)18-14(19-15)9-5-6-10(11(7-9)25-3)27-8-12(22)26-4/h5-7H,8H2,1-4H3,(H,18,19) MTOFXPUIJBFYDT-UHFFFAOYSA-N 175366 1,3-Dimethyl-8-[{4-(2-methoxy-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15, RB-384) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175366&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986876 313044139 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321362 COC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C17H18N4O6/c1-20-15-13(16(23)21(2)17(20)24)18-14(19-15)9-5-6-10(25-3)11(7-9)27-8-12(22)26-4/h5-7H,8H2,1-4H3,(H,18,19) GFRZDWZANLHYRS-UHFFFAOYSA-N 175367 1,3-Dimethyl-8-[{3-(2-methoxy-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16, RB-410) Adenosine receptor A1 Homo sapiens 1.18e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175367&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986877 313044140 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321363 CN(C)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H24N6O4/c1-23(2)10-9-20-14(26)11-29-13-7-5-12(6-8-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-8H,9-11H2,1-4H3,(H,20,26)(H,21,22) KMOXRBQNLUFHEG-UHFFFAOYSA-N 175368 1,3-Dimethyl-8-[4-{2-(dimethylaminoethylamino)-2-oxoethoxy}-phenyl]xanthine (13a, RB-420) Adenosine receptor A1 Homo sapiens 2.2e+2 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175368&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986878 313044141 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321364 CCN(CC)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H28N6O4/c1-5-27(6-2)12-11-22-16(28)13-31-15-9-7-14(8-10-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-10H,5-6,11-13H2,1-4H3,(H,22,28)(H,23,24) HTRTYJCHNCFLGF-UHFFFAOYSA-N 175369 8-[4-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phenyl]-1,3-dimethylxanthine (13b, RB-421) Adenosine receptor A1 Homo sapiens 298 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175369&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986879 313044142 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321365 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCC2)cc1 InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(25)24-9-3-4-10-24/h5-8H,3-4,9-11H2,1-2H3,(H,20,21) NFIYOVPEXZSLQY-UHFFFAOYSA-N 175370 1,3-Dimethyl-8-[4-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (13c, RB-426) Adenosine receptor A1 Homo sapiens 796 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175370&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986880 313044143 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321366 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCC2)cc1 InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-6-8-14(9-7-13)29-12-15(26)25-10-4-3-5-11-25/h6-9H,3-5,10-12H2,1-2H3,(H,21,22) YOBQPFOVDQGNEV-UHFFFAOYSA-N 175371 1,3-Dimethyl-8-[4-{2-(piperidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (13d, RB-427) Adenosine receptor A1 Homo sapiens 419 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175371&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45041502 313044144 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321367 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCCC2)cc1 InChI=1S/C21H25N5O4/c1-4-5-6-7-15(22)16(27)12-30-14-10-8-13(9-11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h8-11,22H,4-7,12H2,1-3H3,(H,23,24) DPESHBSWMQQHOR-UHFFFAOYSA-N 175372 1,3-Dimethyl-8-[4-{2-(hexamethyleneimin-1-yl)-2-oxoethoxy}-phenyl]xanthine (13e, RB-424) Adenosine receptor A1 Homo sapiens 609 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175372&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986881 313044145 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321368 CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 InChI=1S/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21) QLAJNJXYWFVPBN-UHFFFAOYSA-N 175373 1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]xanthine (13f, RB-423) Adenosine receptor A1 Homo sapiens 1.25e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175373&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986882 313044146 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321369 CN1CCN(CC1)C(=O)COc1ccc(cc1)C1=NC2C(N1)C(=O)N(C)C(=O)N2C InChI=1S/C20H26N6O4/c1-23-8-10-26(11-9-23)15(27)12-30-14-6-4-13(5-7-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-7,16,18H,8-12H2,1-3H3,(H,21,22) HBOSMKWFLXUBLY-UHFFFAOYSA-N 175374 1,3-Dimethyl-8-[4-{2-(1-methylpiperazin-4-yl)-2-oxoethoxy}-phenyl]xanthine (13g, RB-425) Adenosine receptor A1 Homo sapiens 499 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175374&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986883 313044147 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321370 CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)n2ccnc2)cc1 InChI=1S/C18H18N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-3-5-12(6-4-11)28-9-13(25)24-8-7-19-10-24/h3-8,10,14,16H,9H2,1-2H3,(H,20,21) AZXUQDNXAPWHRV-UHFFFAOYSA-N 175375 1,3-Dimethyl-8-[4-{2-(imidazol-1-yl)-2-oxoethoxy}-phenyl] xanthine (13h, RB-447) Adenosine receptor A1 Homo sapiens 3.99e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175375&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986884 313044148 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321371 COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC InChI=1S/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28) NUPAVXPUUAMNMT-UHFFFAOYSA-N 175376 1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoethoxy}-phenyl]xanthine (13i, RB-422) Adenosine receptor A1 Homo sapiens 1.68e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175376&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986885 313044149 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321372 CN(C)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H24N6O4/c1-23(2)9-8-20-14(26)11-29-13-7-5-6-12(10-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-7,10H,8-9,11H2,1-4H3,(H,20,26)(H,21,22) YKXVIXWCJKBOMG-UHFFFAOYSA-N 175377 1,3-Dimethyl-8-[3-{2-(dimethylaminoethylamino)-2-oxoethoxy}-phenyl]xanthine (14a, RB-379) Adenosine receptor A1 Homo sapiens 683 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175377&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986886 313044150 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321373 CCN(CC)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H28N6O4/c1-5-27(6-2)11-10-22-16(28)13-31-15-9-7-8-14(12-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,22,28)(H,23,24) SBNHYDQELDLRRV-UHFFFAOYSA-N 175378 8-[3-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phenyl]-1,3-dimethylxanthine (14b, RB-378) Adenosine receptor A1 Homo sapiens 1.22e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175378&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986887 313044151 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321374 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCC2)c1 InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-6-5-7-13(10-12)28-11-14(25)24-8-3-4-9-24/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,21) YVKFALMAWNALPA-UHFFFAOYSA-N 175379 1,3-Dimethyl-8-[3-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (14c, RB-381) Adenosine receptor A1 Homo sapiens 3.29e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175379&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986888 313044152 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321375 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCC2)c1 InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-7-6-8-14(11-13)29-12-15(26)25-9-4-3-5-10-25/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,22) DGKIMYPQSMUZKA-UHFFFAOYSA-N 175380 1,3-Dimethyl-8-[3-{2-(piperidin-1-yl)]-2-oxoethoxy}-phenyl]xanthine (14d, RB-382) Adenosine receptor A1 Homo sapiens 1.52e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175380&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986889 313044153 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321376 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCCC2)c1 InChI=1S/C21H25N5O4/c1-4-5-6-10-15(22)16(27)12-30-14-9-7-8-13(11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h7-9,11,22H,4-6,10,12H2,1-3H3,(H,23,24) BHFXZRQADPNPPA-UHFFFAOYSA-N 175381 1,3-Dimethyl-8-[3-{2-(hexamethyleneimin-1-yl)-2-oxoethoxy}-phenyl]xanthine (14e, RB-376) Adenosine receptor A1 Homo sapiens 2.43e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175381&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986890 313044154 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321377 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCOCC2)c1 InChI=1S/C19H21N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-4-3-5-13(10-12)29-11-14(25)24-6-8-28-9-7-24/h3-5,10H,6-9,11H2,1-2H3,(H,20,21) GGUBALWRKUTXNZ-UHFFFAOYSA-N 175382 1,3-Dimethyl-8-[3-{2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]xanthine (14f, RB-375) Adenosine receptor A1 Homo sapiens 5.37e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175382&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986891 313044155 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321378 CN1CCN(CC1)C(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H24N6O4/c1-23-7-9-26(10-8-23)15(27)12-30-14-6-4-5-13(11-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-6,11H,7-10,12H2,1-3H3,(H,21,22) HMJZPPMWAXVKOW-UHFFFAOYSA-N 175383 1,3-Dimethyl-8-[3-{2-(1-methylpiperazin-4-yl)-2-oxoethoxy}-phenyl]xanthine (14g, RB-380) Adenosine receptor A1 Homo sapiens 1.90e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175383&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986892 313044156 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321379 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1 InChI=1S/C18H16N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-4-3-5-12(8-11)28-9-13(25)24-7-6-19-10-24/h3-8,10H,9H2,1-2H3,(H,20,21) ZNAQFRZHTVLHSP-UHFFFAOYSA-N 175384 1,3-Dimethyl-8-[3-{2-(imidazol-1-yl)-2-oxoethoxy}-phenyl]xanthine (14h, RB-445) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175384&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986893 313044157 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321380 COc1ccc(CCNC(=O)COc2cccc(c2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC InChI=1S/C25H27N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-5-7-17(13-16)36-14-20(31)26-11-10-15-8-9-18(34-3)19(12-15)35-4/h5-9,12-13H,10-11,14H2,1-4H3,(H,26,31)(H,27,28) CQMZWYQNQJMCCO-UHFFFAOYSA-N 175385 1,3-Dimethyl-8-[3-{2-(homoveratrylamino)-2-oxoethoxy}-phenyl]xanthine (14i, RB-377) Adenosine receptor A1 Homo sapiens 5.98e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175385&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986894 313044158 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321381 COc1cc(ccc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-13-7-6-12(10-14(13)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23) IFAPAINJNCAIEX-UHFFFAOYSA-N 175386 1,3-Dimethyl-8-[{4-(2-(dimethylaminoethylamino)-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15a, RB-386) Adenosine receptor A1 Homo sapiens 9.25e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175386&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986895 313044159 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321382 CCN(CC)CCNC(=O)COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C22H30N6O5/c1-6-28(7-2)11-10-23-17(29)13-33-15-9-8-14(12-16(15)32-5)19-24-18-20(25-19)26(3)22(31)27(4)21(18)30/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,23,29)(H,24,25) POHMJKWKQLDWJH-UHFFFAOYSA-N 175387 8-[{4-(2-(Diethylaminoethylamino)-2-oxoethoxy)-3-methoxy}-phenyl]-1,3-dimethyl-xanthine (15b, RB-388) Adenosine receptor A1 Homo sapiens >1.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175387&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986896 313044160 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321383 COc1cc(ccc1OCC(=O)N1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H23N5O5/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-6-7-13(14(10-12)29-3)30-11-15(26)25-8-4-5-9-25/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,22) LVHVGUNCVPTISU-UHFFFAOYSA-N 175388 1,3-Dimethyl-8-[3-methoxy-4-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (15c, RB-392) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175388&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986897 313044161 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321384 COc1cc(ccc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H25N5O5/c1-24-19-17(20(28)25(2)21(24)29)22-18(23-19)13-7-8-14(15(11-13)30-3)31-12-16(27)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23) WFLGRDUCNJNMNI-UHFFFAOYSA-N 175389 1,3-Dimethyl-8-[3-methoxy-4-{2-(piperidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (15d, RB-391) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175389&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986898 313044162 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321385 COc1cc(ccc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(16(12-14)31-3)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24) LLOHYALDWMUHGF-UHFFFAOYSA-N 175390 1,3-Dimethyl-8-[{4-(2-(hexamethyleneimin-1-yl)-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15e, RB-387) Adenosine receptor A1 Homo sapiens >1.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175390&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986899 313044163 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321386 COc1cc(ccc1OCC(=O)N1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H23N5O6/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-4-5-13(14(10-12)29-3)31-11-15(26)25-6-8-30-9-7-25/h4-5,10H,6-9,11H2,1-3H3,(H,21,22) YSMSNIVQSRISSP-UHFFFAOYSA-N 175391 1,3-Dimethyl-8-[3-methoxy-4-{2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]xanthine (15f, RB-385) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175391&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986900 313044164 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321387 COc1cc(ccc1OCC(=O)N1CCN(C)CC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H26N6O5/c1-24-7-9-27(10-8-24)16(28)12-32-14-6-5-13(11-15(14)31-4)18-22-17-19(23-18)25(2)21(30)26(3)20(17)29/h5-6,11H,7-10,12H2,1-4H3,(H,22,23) CKJJCLAGQDVVOH-UHFFFAOYSA-N 175392 1,3-Dimethyl-8-[3-methoxy-4-{2-(1-methylpiperazin-4-yl)-2-oxoethoxy}-phenyl]-xanthine (15g, RB-446) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175392&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986901 313044165 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321388 COc1cc(ccc1OCC(=O)n1ccnc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H18N6O5/c1-23-17-15(18(27)24(2)19(23)28)21-16(22-17)11-4-5-12(13(8-11)29-3)30-9-14(26)25-7-6-20-10-25/h4-8,10H,9H2,1-3H3,(H,21,22) IMWFUDXESXPFJA-UHFFFAOYSA-N 175393 1,3-Dimethyl-8-[{4-(2-(imidazol-1-yl)-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15h, RB-390) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175393&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986902 313044166 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321389 COc1ccc(CCNC(=O)COc2ccc(cc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(20(13-16)37-5)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)36-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29) BFYUKZCEESTNPD-UHFFFAOYSA-N 175394 1,3-Dimethyl-8-[{4-(2-(homoveratrylamino)-2-oxoethoxy)-3-methoxy}-phenyl]-xanthine (15i, RB-389) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175394&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986903 313044167 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321390 COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-14-10-12(6-7-13(14)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23) HRFAEZWDSALPPI-UHFFFAOYSA-N 175395 1,3-Dimethyl-8-[{3-(2-(dimethylaminoethylamino)-2-oxoethoxy)-4-methoxy}-phenyl]-xanthine (16a, RB-413) Adenosine receptor A1 Homo sapiens 847 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175395&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986904 313044168 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321391 CCN(CC)CCNC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C22H30N6O5/c1-6-28(7-2)11-10-23-17(29)13-33-16-12-14(8-9-15(16)32-5)19-24-18-20(25-19)26(3)22(31)27(4)21(18)30/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,23,29)(H,24,25) WBKKRRRQOWLLBK-UHFFFAOYSA-N 175396 8-[{3-(2-(Diethylaminoethylamino)-2-oxoethoxy)-4-methoxy}phenyl]-1,3-dimethylxanthine (16b, RB-411) Adenosine receptor A1 Homo sapiens 1.97e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175396&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986905 313044169 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321392 COc1ccc(cc1OCC(=O)N1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H23N5O5/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-6-7-13(29-3)14(10-12)30-11-15(26)25-8-4-5-9-25/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,22) NTOPCEYEXCCFNE-UHFFFAOYSA-N 175397 1,3-Dimethyl-8-[4-methoxy-3-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (16c, RB-414) Adenosine receptor A1 Homo sapiens 5.94e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175397&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986906 313044170 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321393 COc1ccc(cc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H25N5O5/c1-24-19-17(20(28)25(2)21(24)29)22-18(23-19)13-7-8-14(30-3)15(11-13)31-12-16(27)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23) BMBWRZPUMJHDJI-UHFFFAOYSA-N 175398 1,3-Dimethyl-8-[4-methoxy-3-{2-(piperidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (16d, RB-417) Adenosine receptor A1 Homo sapiens 1.62e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175398&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986907 313044171 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321394 COc1ccc(cc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(31-3)16(12-14)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24) IDGFGLTVKLOCMJ-UHFFFAOYSA-N 175399 1,3-Dimethyl-8-[{3-(2-(hexamethyleneimin-1-yl)-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16e, RB-449) Adenosine receptor A1 Homo sapiens 1.91e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175399&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986908 313044172 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321395 COc1ccc(cc1OCC(=O)N1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H23N5O6/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-4-5-13(29-3)14(10-12)31-11-15(26)25-6-8-30-9-7-25/h4-5,10H,6-9,11H2,1-3H3,(H,21,22) RAWZXLWRGULNGN-UHFFFAOYSA-N 175400 1,3-Dimethyl-8-[4-methoxy-3-{(2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]-xanthine (16f, RB-415) Adenosine receptor A1 Homo sapiens 3.51e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175400&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986909 313044173 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321396 COc1ccc(cc1OCC(=O)N1CCN(C)CC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H26N6O5/c1-24-7-9-27(10-8-24)16(28)12-32-15-11-13(5-6-14(15)31-4)18-22-17-19(23-18)25(2)21(30)26(3)20(17)29/h5-6,11H,7-10,12H2,1-4H3,(H,22,23) XPDRAVHADRZCQU-UHFFFAOYSA-N 175401 1,3-Dimethyl-8-[4-methoxy-3-{2-(1-methylpiperazin-4-yl)-2-oxo-ethoxy}-phenyl]xanthine (16g, RB-416) Adenosine receptor A1 Homo sapiens 3.64e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175401&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986910 313044174 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321397 COc1ccc(cc1OCC(=O)N1CCN=C1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H20N6O5/c1-23-17-15(18(27)24(2)19(23)28)21-16(22-17)11-4-5-12(29-3)13(8-11)30-9-14(26)25-7-6-20-10-25/h4-5,8,10H,6-7,9H2,1-3H3,(H,21,22) UFDSXJSHQYVRHF-UHFFFAOYSA-N 175402 1,3-Dimethyl-8-[{3-(2-(imidazol-1-yl)-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16h, RB-450) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175402&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986911 313044175 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 321398 COc1ccc(CCNC(=O)COc2cc(ccc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(36-4)20(13-16)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)37-5/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29) LTDQAWJREJGEPO-UHFFFAOYSA-N 175403 1,3-Dimethyl-8-[{3-(2-(homoveratrylamino)-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16i, RB-412) Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175403&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118986912 313044176 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 323805 CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C18H15N5OS2/c1-19-14-8-12-17(26-14)15(16(24)13-5-3-7-25-13)23-18(22-12)21-10-11-4-2-6-20-9-11/h2-9,19H,10H2,1H3,(H,21,22,23) RMJSDWIAVCAAMH-UHFFFAOYSA-N 50310923 CHEMBL1077943::US9120807, 6::{6-Methylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone Adenosine receptor A1 Homo sapiens 57.6 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310923&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25207803 104145284 CHEMBL1077943 ZINC49112411 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 323806 CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C19H17N5OS2/c1-24(2)15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)23-19(22-13)21-11-12-5-3-7-20-10-12/h3-10H,11H2,1-2H3,(H,21,22,23) VGLSCMPCDPYQTM-UHFFFAOYSA-N 50310925 CHEMBL1081160::US9120807, 7::{6-dimethylamino-2-[(pyridine-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone Adenosine receptor A1 Homo sapiens 19.4 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310925&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25230881 104145286 CHEMBL1081160 ZINC49033046 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 323807 CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24) GQSJGNQPKLGYJZ-UHFFFAOYSA-N 50310924 CHEMBL1080421::US9120807, 8::{6-Ethylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone Adenosine receptor A1 Homo sapiens 118.3 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310924&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25230948 104145285 CHEMBL1080421 ZINC49032735 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 323808 Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C17H13N5OS2/c18-13-7-11-16(25-13)14(15(23)12-4-2-6-24-12)22-17(21-11)20-9-10-3-1-5-19-8-10/h1-8H,9,18H2,(H,20,21,22) TWNISLQLWKPWDI-UHFFFAOYSA-N 50310922 CHEMBL1080241::US9120807, 9::{6-Amino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone Adenosine receptor A1 Homo sapiens 1103.5 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310922&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25230949 104145283 CHEMBL1080241 ZINC49033067 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 323809 C=Cc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C19H14N4OS2/c1-2-13-9-14-18(26-13)16(17(24)15-6-4-8-25-15)23-19(22-14)21-11-12-5-3-7-20-10-12/h2-10H,1,11H2,(H,21,22,23) STQYXQGAZSYWDR-UHFFFAOYSA-N 177998 US9120807, 10 Adenosine receptor A1 Homo sapiens 161.3 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=177998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=177998&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25230950 313048444 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 323810 CCc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C19H16N4OS2/c1-2-13-9-14-18(26-13)16(17(24)15-6-4-8-25-15)23-19(22-14)21-11-12-5-3-7-20-10-12/h3-10H,2,11H2,1H3,(H,21,22,23) FARDIRBBHGVIGJ-UHFFFAOYSA-N 177999 US9120807, 11 Adenosine receptor A1 Homo sapiens 216 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=177999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=177999&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25230951 313048445 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 323811 O=C(c1cccs1)c1nc(NCc2cccnc2)nc2cc(NCc3cccnc3)sc12 InChI=1S/C23H18N6OS2/c30-21(18-6-3-9-31-18)20-22-17(10-19(32-22)26-13-15-4-1-7-24-11-15)28-23(29-20)27-14-16-5-2-8-25-12-16/h1-12,26H,13-14H2,(H,27,28,29) BXEPZMXZIXWQED-UHFFFAOYSA-N 178000 US9120807, 12 Adenosine receptor A1 Homo sapiens 256.2 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=178000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=178000&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25230952 313048446 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 327846 Cn1c(nc2c(N)nc(CCCCO)nc12)-n1nccn1 InChI=1S/C12H16N8O/c1-19-11-9(18-12(19)20-14-5-6-15-20)10(13)16-8(17-11)4-2-3-7-21/h5-6,21H,2-4,7H2,1H3,(H2,13,16,17) LXKQSSJIYWOEPP-UHFFFAOYSA-N 181010 US9133197, 1 Adenosine receptor A1 Homo sapiens 51 7.4 25.00 C US Patent 10.7270/Q2542MB7 aid1801637 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=181010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=181010&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46912311 313363125 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 327847 CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17) HMSFWLUZEDMXMM-UHFFFAOYSA-N 50011300 CHEMBL2398482::US9133197, 2 Adenosine receptor A1 Homo sapiens 27 7.4 25.00 C US Patent 10.7270/Q2542MB7 aid1801637 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011300&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66678431 242057806 CHEMBL2398482 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 327848 CCCC(O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8O/c1-3-4-7(21)10-17-9(13)8-11(18-10)19(2)12(16-8)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,17,18) WGABQFRWHDCFEU-UHFFFAOYSA-N 181013 US9133197, 5 Adenosine receptor A1 Homo sapiens 120 7.4 25.00 C US Patent 10.7270/Q2542MB7 aid1801637 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=181013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=181013&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46912313 313363128 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 327849 CCCC(=O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H14N8O/c1-3-4-7(21)10-17-9(13)8-11(18-10)19(2)12(16-8)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,17,18) DCITZRYVYKMQQH-UHFFFAOYSA-N 181014 US9133197, 6 Adenosine receptor A1 Homo sapiens 216 7.4 25.00 C US Patent 10.7270/Q2542MB7 aid1801637 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=181014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=181014&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46912316 313363129 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 327850 CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17) PLXYHOBIHWLDSZ-UHFFFAOYSA-N 50011301 CHEMBL2398486::US9133197, 7 Adenosine receptor A1 Homo sapiens 197 7.4 25.00 C US Patent 10.7270/Q2542MB7 aid1801637 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011301&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46912314 242057807 CHEMBL2398486 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343371 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1 InChI=1S/C21H15FN6OS/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29) BUPQTCPEJNYADY-UHFFFAOYSA-N 191774 US9187428, 2 Adenosine receptor A1 Homo sapiens 0.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191774&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68617983 317223036 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343372 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 InChI=1S/C22H18N6O2S/c1-26-21(29)18-9-13(7-8-27-18)12-31-22-17(11-24)19(16(10-23)20(25)28-22)14-3-5-15(30-2)6-4-14/h3-9H,12H2,1-2H3,(H2,25,28)(H,26,29) TZRCHVDHHHPQKY-UHFFFAOYSA-N 191775 US9187428, 3 Adenosine receptor A1 Homo sapiens 0.2 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191775&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68619112 317223037 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343373 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1 InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30) FANKFIQCLPRMTG-UHFFFAOYSA-N 191776 US9187428, 4::US9187428, 53 Adenosine receptor A1 Homo sapiens 0.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191776&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56592011 317223038 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343374 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc4OCCOc4c3)c2C#N)ccn1 InChI=1S/C23H18N6O3S/c1-27-22(30)17-8-13(4-5-28-17)12-33-23-16(11-25)20(15(10-24)21(26)29-23)14-2-3-18-19(9-14)32-7-6-31-18/h2-5,8-9H,6-7,12H2,1H3,(H2,26,29)(H,27,30) SUNDMAKIAUTEHN-UHFFFAOYSA-N 191778 US9187428, 6 Adenosine receptor A1 Homo sapiens 0.06 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191778&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68597393 317223039 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343375 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCC(C)(C)O)cc3)c2C#N)ccn1 InChI=1S/C25H24N6O3S/c1-25(2,33)14-34-17-6-4-16(5-7-17)21-18(11-26)22(28)31-24(19(21)12-27)35-13-15-8-9-30-20(10-15)23(32)29-3/h4-10,33H,13-14H2,1-3H3,(H2,28,31)(H,29,32) XQOOPCOOQAMMQP-UHFFFAOYSA-N 191779 US9187428, 7 Adenosine receptor A1 Homo sapiens 0.1 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191779&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68597350 317223040 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343376 Nc1nc(SCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N InChI=1S/C23H18N6OS/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30) ZZDYGBAXSRKELQ-UHFFFAOYSA-N 191785 US9187428, 13 Adenosine receptor A1 Homo sapiens 0.08 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191785&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68613928 317223041 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343377 Nc1nc(SCc2cccc(c2)C(O)=O)c(C#N)c(-c2ccc(F)cc2)c1C#N InChI=1S/C21H13FN4O2S/c22-15-6-4-13(5-7-15)18-16(9-23)19(25)26-20(17(18)10-24)29-11-12-2-1-3-14(8-12)21(27)28/h1-8H,11H2,(H2,25,26)(H,27,28) GXIGLULYZQIHGN-UHFFFAOYSA-N 191786 US9187428, 14 Adenosine receptor A1 Homo sapiens 3.5 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191786&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68597381 317223042 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343378 OC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C21H13N3O2S/c22-10-17-12-24-20(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)21(25)26/h1-9,12H,13H2,(H,25,26) NIEOZFINVHWHCA-UHFFFAOYSA-N 191787 US9187428, 15 Adenosine receptor A1 Homo sapiens 0.8 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191787&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68596111 317223043 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343379 CNC(=O)c1cc(COc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1 InChI=1S/C21H15FN6O2/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29) IMPZNZTUWCSHTB-UHFFFAOYSA-N 191793 US9187428, 21 Adenosine receptor A1 Homo sapiens 0.9 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191793&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66631060 317223044 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343380 CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N InChI=1S/C23H20N6O2S/c1-3-31-16-6-4-15(5-7-16)20-17(11-24)21(26)29-23(18(20)12-25)32-13-14-8-9-28-19(10-14)22(30)27-2/h4-10H,3,13H2,1-2H3,(H2,26,29)(H,27,30) FYESXGROCPLGGI-UHFFFAOYSA-N 191798 US9187428, 26 Adenosine receptor A1 Homo sapiens 0.2 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191798&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68606791 317223045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343381 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(OC)c3)c2C#N)ccn1 InChI=1S/C22H17FN6O2S/c1-27-21(30)17-7-12(5-6-28-17)11-32-22-15(10-25)19(14(9-24)20(26)29-22)13-3-4-16(23)18(8-13)31-2/h3-8H,11H2,1-2H3,(H2,26,29)(H,27,30) GRJPTWQKDOFDHF-UHFFFAOYSA-N 191799 US9187428, 27 Adenosine receptor A1 Homo sapiens 0.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191799&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68604809 317223046 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343382 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(NC)cc3)c2C#N)ccn1 InChI=1S/C22H19N7OS/c1-26-15-5-3-14(4-6-15)19-16(10-23)20(25)29-22(17(19)11-24)31-12-13-7-8-28-18(9-13)21(30)27-2/h3-9,26H,12H2,1-2H3,(H2,25,29)(H,27,30) NTAVNMNECDTIHC-UHFFFAOYSA-N 191800 US9187428, 28 Adenosine receptor A1 Homo sapiens 0.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191800&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68604883 317223047 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343383 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cccc(OCCO)c3)c2C#N)ccn1 InChI=1S/C23H20N6O3S/c1-27-22(31)19-9-14(5-6-28-19)13-33-23-18(12-25)20(17(11-24)21(26)29-23)15-3-2-4-16(10-15)32-8-7-30/h2-6,9-10,30H,7-8,13H2,1H3,(H2,26,29)(H,27,31) HJBORWZYZBZOKH-UHFFFAOYSA-N 191801 US9187428, 29 Adenosine receptor A1 Homo sapiens 0.5 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191801&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68047404 317223048 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343384 CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OCCO)cc3)c2C#N)ccn1 InChI=1S/C23H19N5O3S/c1-26-22(30)20-10-15(6-7-27-20)14-32-23-19(12-25)21(17(11-24)13-28-23)16-2-4-18(5-3-16)31-9-8-29/h2-7,10,13,29H,8-9,14H2,1H3,(H,26,30) AQBHPJGCFMEZLW-UHFFFAOYSA-N 191802 US9187428, 30 Adenosine receptor A1 Homo sapiens 0.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191802&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68047402 317223049 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343385 CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 InChI=1S/C22H17N5O2S/c1-25-21(28)19-9-14(7-8-26-19)13-30-22-18(11-24)20(16(10-23)12-27-22)15-3-5-17(29-2)6-4-15/h3-9,12H,13H2,1-2H3,(H,25,28) LYEJXPMWXNERKG-UHFFFAOYSA-N 191803 US9187428, 31 Adenosine receptor A1 Homo sapiens 1.6 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191803&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68615584 317223050 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343386 CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C21H15N5OS/c1-24-20(27)18-9-14(7-8-25-18)13-28-21-17(11-23)19(16(10-22)12-26-21)15-5-3-2-4-6-15/h2-9,12H,13H2,1H3,(H,24,27) OEBWKIWBLVALPQ-UHFFFAOYSA-N 191804 US9187428, 32 Adenosine receptor A1 Homo sapiens 0.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68614454 317223051 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343387 NC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C21H15N5OS/c22-10-16-18(14-6-2-1-3-7-14)17(11-23)21(26-19(16)24)28-12-13-5-4-8-15(9-13)20(25)27/h1-9H,12H2,(H2,24,26)(H2,25,27) CNCRFHGLUXOHFK-UHFFFAOYSA-N 191805 US9187428, 33 Adenosine receptor A1 Homo sapiens 0.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191805&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68615669 317223052 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343388 CS(=O)(=O)Nc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)c1 InChI=1S/C21H16FN5O2S2/c1-31(28,29)27-16-4-2-3-13(9-16)12-30-21-18(11-24)19(17(10-23)20(25)26-21)14-5-7-15(22)8-6-14/h2-9,27H,12H2,1H3,(H2,25,26) UEDYCSRCDNDCLO-UHFFFAOYSA-N 191809 US9187428, 37 Adenosine receptor A1 Homo sapiens 0.7 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191809&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68605180 317223053 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343389 CS(=O)(=O)Nc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)c1 InChI=1S/C21H15F2N5O2S2/c1-32(29,30)28-14-4-2-3-12(7-14)11-31-21-16(10-25)19(15(9-24)20(26)27-21)13-5-6-17(22)18(23)8-13/h2-8,28H,11H2,1H3,(H2,26,27) GJYWCDABXNMGIQ-UHFFFAOYSA-N 191810 US9187428, 38 Adenosine receptor A1 Homo sapiens 0.5 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191810&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68606147 317223054 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343390 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3OC)c2C#N)ccn1 InChI=1S/C23H20N6O3S/c1-27-22(30)18-8-13(6-7-28-18)12-33-23-17(11-25)20(16(10-24)21(26)29-23)15-5-4-14(31-2)9-19(15)32-3/h4-9H,12H2,1-3H3,(H2,26,29)(H,27,30) KXKGESVADAZNSM-UHFFFAOYSA-N 191816 US9187428, 44 Adenosine receptor A1 Homo sapiens 0.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191816&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68606242 317223055 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343391 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OS(=O)(=O)N(C)C)cc3)c2C#N)ccn1 InChI=1S/C23H21N7O4S2/c1-27-22(31)19-10-14(8-9-28-19)13-35-23-18(12-25)20(17(11-24)21(26)29-23)15-4-6-16(7-5-15)34-36(32,33)30(2)3/h4-10H,13H2,1-3H3,(H2,26,29)(H,27,31) XEHPYILEDAZGRI-UHFFFAOYSA-N 191818 US9187428, 46 Adenosine receptor A1 Homo sapiens 0.04 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191818&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68619417 317223056 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343392 CCCOc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N InChI=1S/C24H22N6O2S/c1-3-9-32-17-6-4-5-16(11-17)21-18(12-25)22(27)30-24(19(21)13-26)33-14-15-7-8-29-20(10-15)23(31)28-2/h4-8,10-11H,3,9,14H2,1-2H3,(H2,27,30)(H,28,31) URQAZXHQWHGMEP-UHFFFAOYSA-N 191821 US9187428, 49 Adenosine receptor A1 Homo sapiens 0.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191821&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68611206 317223057 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343393 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(c3)C(F)(F)F)c2C#N)ccn1 InChI=1S/C22H14F4N6OS/c1-30-20(33)17-6-11(4-5-31-17)10-34-21-14(9-28)18(13(8-27)19(29)32-21)12-2-3-16(23)15(7-12)22(24,25)26/h2-7H,10H2,1H3,(H2,29,32)(H,30,33) OELVMHHCDQEDBA-UHFFFAOYSA-N 191822 US9187428, 50 Adenosine receptor A1 Homo sapiens 0.5 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191822&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56592177 317223058 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343394 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cc(F)cc(F)c3)c2C#N)ccn1 InChI=1S/C21H14F2N6OS/c1-27-20(30)17-4-11(2-3-28-17)10-31-21-16(9-25)18(15(8-24)19(26)29-21)12-5-13(22)7-14(23)6-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30) GAXJRISCTLYMFU-UHFFFAOYSA-N 191823 US9187428, 51 Adenosine receptor A1 Homo sapiens 0.2 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191823&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68612245 317223059 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343395 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1 InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30) FANKFIQCLPRMTG-UHFFFAOYSA-N 191776 US9187428, 4::US9187428, 53 Adenosine receptor A1 Homo sapiens 0.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191776&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56592011 317223038 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343396 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCCN)cc3)c2C#N)ccn1 InChI=1S/C23H21N7O2S/c1-28-22(31)19-10-14(6-8-29-19)13-33-23-18(12-26)20(17(11-25)21(27)30-23)15-2-4-16(5-3-15)32-9-7-24/h2-6,8,10H,7,9,13,24H2,1H3,(H2,27,30)(H,28,31) DDUQXIITCCDRIF-UHFFFAOYSA-N 191826 US9187428, 54 Adenosine receptor A1 Homo sapiens 0.04 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191826&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56593480 317223060 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343397 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCCNC(=O)[C@H](C)N)cc3)c2C#N)ccn1 InChI=1S/C26H26N8O3S/c1-15(29)24(35)33-9-10-37-18-5-3-17(4-6-18)22-19(12-27)23(30)34-26(20(22)13-28)38-14-16-7-8-32-21(11-16)25(36)31-2/h3-8,11,15H,9-10,14,29H2,1-2H3,(H2,30,34)(H,31,36)(H,33,35)/t15-/m0/s1 FAOCUWOLHBKWBE-HNNXBMFYSA-N 191827 US9187428, 55 Adenosine receptor A1 Homo sapiens 0.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191827&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66633974 317223061 C03803 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343398 CNC(=O)c1cc(ccn1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCC(F)(F)F)cc2)c1C#N InChI=1S/C24H19F3N6O2S/c1-13(15-7-8-32-19(9-15)22(34)31-2)36-23-18(11-29)20(17(10-28)21(30)33-23)14-3-5-16(6-4-14)35-12-24(25,26)27/h3-9,13H,12H2,1-2H3,(H2,30,33)(H,31,34) SDZLWPSMPSPGFW-UHFFFAOYSA-N 191828 US9187428, 56 Adenosine receptor A1 Homo sapiens 2.8 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191828&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56592178 317223062 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343399 CC(Sc1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N)c1cccc(c1)C(N)=O InChI=1S/C24H21N5O3S/c1-14(16-3-2-4-17(11-16)23(28)31)33-24-20(13-26)21(19(12-25)22(27)29-24)15-5-7-18(8-6-15)32-10-9-30/h2-8,11,14,30H,9-10H2,1H3,(H2,27,29)(H2,28,31) PRQHDJVUYYXVOP-UHFFFAOYSA-N 191832 US9187428, 60 Adenosine receptor A1 Homo sapiens 0.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191832&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66631434 317223063 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343400 CNC(=O)c1cccc(c1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N InChI=1S/C25H23N5O3S/c1-15(17-4-3-5-18(12-17)24(32)29-2)34-25-21(14-27)22(20(13-26)23(28)30-25)16-6-8-19(9-7-16)33-11-10-31/h3-9,12,15,31H,10-11H2,1-2H3,(H2,28,30)(H,29,32) XLMBXOODCDVPFM-UHFFFAOYSA-N 191834 US9187428, 62 Adenosine receptor A1 Homo sapiens 0.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191834&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56592092 317223064 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343401 NC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C21H14N4OS/c22-10-17-12-25-21(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)20(24)26/h1-9,12H,13H2,(H2,24,26) DYSMRUPLJIKSNE-UHFFFAOYSA-N 191837 US9187428, 65 Adenosine receptor A1 Homo sapiens 3.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191837&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66631868 317223065 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343402 OCCNC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C23H18N4O2S/c24-12-19-14-27-23(20(13-25)21(19)17-6-2-1-3-7-17)30-15-16-5-4-8-18(11-16)22(29)26-9-10-28/h1-8,11,14,28H,9-10,15H2,(H,26,29) RYNDARWSEZMFCR-UHFFFAOYSA-N 191838 US9187428, 66 Adenosine receptor A1 Homo sapiens 1.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191838&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56592179 317223066 C04080 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343403 Nc1nc(OCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N InChI=1S/C23H18N6O2/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30) WKAHMRMVDYWVPB-UHFFFAOYSA-N 191840 US9187428, 68 Adenosine receptor A1 Homo sapiens 0.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191840&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68612168 317223067 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343404 CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H20N6O2S/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32) TVKRXMKEVFIJGJ-UHFFFAOYSA-N 191842 US9187428, 70 Adenosine receptor A1 Homo sapiens 0.2 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191842&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56592181 317223068 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343405 CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 InChI=1S/C25H22N6O3S/c1-28-24(33)21-9-15(7-8-29-21)14-35-25-20(11-27)22(16-3-5-18(34-2)6-4-16)19(10-26)23(30-25)31-12-17(32)13-31/h3-9,17,32H,12-14H2,1-2H3,(H,28,33) KOXCLHXGKIISLS-UHFFFAOYSA-N 191844 US9187428, 72 Adenosine receptor A1 Homo sapiens 0.5 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191844&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68614769 317223069 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343406 CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1 InChI=1S/C24H18F2N6O2S/c1-29-23(34)20-6-13(4-5-30-20)12-35-24-17(9-28)21(14-2-3-18(25)19(26)7-14)16(8-27)22(31-24)32-10-15(33)11-32/h2-7,15,33H,10-12H2,1H3,(H,29,34) XTHDMKNADLTFBY-UHFFFAOYSA-N 191846 US9187428, 74 Adenosine receptor A1 Homo sapiens 2.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191846&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68611912 317223070 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343407 CNC(=O)c1cc(CSc2nc(N(C)CCO)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H22N6O2S/c1-27-23(32)20-12-16(8-9-28-20)15-33-24-19(14-26)21(17-6-4-3-5-7-17)18(13-25)22(29-24)30(2)10-11-31/h3-9,12,31H,10-11,15H2,1-2H3,(H,27,32) CUTIHBIGUWEKQJ-UHFFFAOYSA-N 191847 US9187428, 75 Adenosine receptor A1 Homo sapiens 0.2 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66631260 317223071 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343408 CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccc(OCCO)nc3)c2C#N)ccn1 InChI=1S/C24H23N7O4S/c1-27-23(34)19-10-15(4-5-28-19)14-36-24-18(12-26)21(17(11-25)22(31-24)29-6-7-32)16-2-3-20(30-13-16)35-9-8-33/h2-5,10,13,32-33H,6-9,14H2,1H3,(H,27,34)(H,29,31) MPNXBQZUKWRSLD-UHFFFAOYSA-N 191850 US9187428, 78 Adenosine receptor A1 Homo sapiens 0.1 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191850&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68617624 317223072 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343409 CNC(=O)c1cc(CSc2nc(N3CC[C@@H](O)C3)c(C#N)c(-c3ccc4OCCOc4c3)c2C#N)ccn1 InChI=1S/C27H24N6O4S/c1-30-26(35)21-10-16(4-6-31-21)15-38-27-20(13-29)24(17-2-3-22-23(11-17)37-9-8-36-22)19(12-28)25(32-27)33-7-5-18(34)14-33/h2-4,6,10-11,18,34H,5,7-9,14-15H2,1H3,(H,30,35)/t18-/m1/s1 IJSYWXYIWQUFBT-GOSISDBHSA-N 191854 US9187428, 82 Adenosine receptor A1 Homo sapiens 0.2 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191854&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68605677 317223073 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343410 CNC(=O)c1cc(CSc2nc(NC[C@H](O)CO)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H22N6O3S/c1-27-23(33)20-9-15(7-8-28-20)14-34-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(30-24)29-12-17(32)13-31/h2-9,17,31-32H,12-14H2,1H3,(H,27,33)(H,29,30)/t17-/m0/s1 UGHXOTLFXUPIFS-KRWDZBQOSA-N 191855 US9187428, 83 Adenosine receptor A1 Homo sapiens 0.2 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191855&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68613195 317223074 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343411 CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 InChI=1S/C24H22N6O3S/c1-27-23(32)20-11-15(7-8-28-20)14-34-24-19(13-26)21(16-3-5-17(33-2)6-4-16)18(12-25)22(30-24)29-9-10-31/h3-8,11,31H,9-10,14H2,1-2H3,(H,27,32)(H,29,30) FKGGVWWJVXWSTL-UHFFFAOYSA-N 191856 US9187428, 84 Adenosine receptor A1 Homo sapiens 0.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191856&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68611797 317223075 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343412 O=C(NC1CC1)c1cc(CSc2nc(N3CCCC3)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C27H24N6OS/c28-15-21-24(19-6-2-1-3-7-19)22(16-29)27(32-25(21)33-12-4-5-13-33)35-17-18-10-11-30-23(14-18)26(34)31-20-8-9-20/h1-3,6-7,10-11,14,20H,4-5,8-9,12-13,17H2,(H,31,34) TXZYEFSLJQNQOK-UHFFFAOYSA-N 191857 US9187428, 85 Adenosine receptor A1 Homo sapiens 0.5 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191857&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68602402 317223076 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343413 CNC(=O)c1cc(CSc2nc(NCC(O)C(F)(F)F)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H19F3N6O2S/c1-30-22(35)18-9-14(7-8-31-18)13-36-23-17(11-29)20(15-5-3-2-4-6-15)16(10-28)21(33-23)32-12-19(34)24(25,26)27/h2-9,19,34H,12-13H2,1H3,(H,30,35)(H,32,33) XRIAXFSXESCCIJ-UHFFFAOYSA-N 191859 US9187428, 87 Adenosine receptor A1 Homo sapiens 0.6 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191859&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68600557 317223077 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343414 CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccccn3)c2C#N)ccn1 InChI=1S/C22H19N7O2S/c1-25-21(31)18-10-14(5-7-27-18)13-32-22-16(12-24)19(17-4-2-3-6-26-17)15(11-23)20(29-22)28-8-9-30/h2-7,10,30H,8-9,13H2,1H3,(H,25,31)(H,28,29) AYWPFTKLLZHBJC-UHFFFAOYSA-N 191860 US9187428, 88 Adenosine receptor A1 Homo sapiens 0.7 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191860&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68597882 317223078 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343415 CNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H20N6O3/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32) RIKWPWBAAMITPO-UHFFFAOYSA-N 191865 US9187428, 93 Adenosine receptor A1 Homo sapiens 0.9 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191865&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66631651 317223079 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343416 CNC(=O)c1cccc(CSc2nc(N3CC[C@@H](O)C3)c(C#N)c(-c3ccc(OCCO)cc3)c2C#N)c1 InChI=1S/C28H27N5O4S/c1-31-27(36)20-4-2-3-18(13-20)17-38-28-24(15-30)25(19-5-7-22(8-6-19)37-12-11-34)23(14-29)26(32-28)33-10-9-21(35)16-33/h2-8,13,21,34-35H,9-12,16-17H2,1H3,(H,31,36)/t21-/m1/s1 GGYIOAQCIRVUSI-OAQYLSRUSA-N 191866 US9187428, 94 Adenosine receptor A1 Homo sapiens 0.2 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191866&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66631463 317223080 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343417 Nc1nc(SCc2cccc(c2)C(=O)NC[C@@H](O)CO)c(C#N)c(-c2ccc(F)cc2)c1C#N InChI=1S/C24H20FN5O3S/c25-17-6-4-15(5-7-17)21-19(9-26)22(28)30-24(20(21)10-27)34-13-14-2-1-3-16(8-14)23(33)29-11-18(32)12-31/h1-8,18,31-32H,11-13H2,(H2,28,30)(H,29,33)/t18-/m1/s1 JPFRNQVVUWGFLY-GOSISDBHSA-N 191868 US9187428, 96 Adenosine receptor A1 Homo sapiens 0.4 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191868&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 68602346 317223081 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343418 CCNC(=O)c1cccc(CSc2nc(N3CCCC3)c(C#N)c(-c3ccc(OCCO)cc3)c2C#N)c1 InChI=1S/C29H29N5O3S/c1-2-32-28(36)22-7-5-6-20(16-22)19-38-29-25(18-31)26(21-8-10-23(11-9-21)37-15-14-35)24(17-30)27(33-29)34-12-3-4-13-34/h5-11,16,35H,2-4,12-15,19H2,1H3,(H,32,36) AFDZAPUKPRXNJZ-UHFFFAOYSA-N 191870 US9187428, 98 Adenosine receptor A1 Homo sapiens 0.3 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191870&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66631991 317223082 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343419 NC(=O)c1cccc(CSc2nc(NC[C@@H](O)CO)c(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C24H21N5O3S/c25-10-19-21(16-6-2-1-3-7-16)20(11-26)24(29-23(19)28-12-18(31)13-30)33-14-15-5-4-8-17(9-15)22(27)32/h1-9,18,30-31H,12-14H2,(H2,27,32)(H,28,29)/t18-/m1/s1 NXTIBIHGJTZXGE-GOSISDBHSA-N 191871 US9187428, 99 Adenosine receptor A1 Homo sapiens 0.9 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191871&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66631775 317223083 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 343420 NCCNC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C23H20N6OS/c24-9-10-28-22(30)17-8-4-5-15(11-17)14-31-23-19(13-26)20(16-6-2-1-3-7-16)18(12-25)21(27)29-23/h1-8,11H,9-10,14,24H2,(H2,27,29)(H,28,30) VPILLSACNTZHIJ-UHFFFAOYSA-N 191873 US9187428, 101 Adenosine receptor A1 Homo sapiens 0.2 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191873&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66633776 317223084 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341624 Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 InChI=1S/C11H12ClN5O2/c12-10-15-8(13)6-9(16-10)17(3-14-6)11-1-4(11)7(19)5(18)2-11/h3-5,7,18-19H,1-2H2,(H2,13,15,16)/t4-,5-,7+,11-/m0/s1 FPUWZABNVPWCTR-CCCMEWHLSA-N 191067 US9181253, 107 Adenosine receptor A1 Homo sapiens 350 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191067&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494163 316936319 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341625 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C14H16ClN5O2/c15-13-18-11(17-6-1-2-6)9-12(19-13)20(5-16-9)14-3-7(14)10(22)8(21)4-14/h5-8,10,21-22H,1-4H2,(H,17,18,19)/t7-,8-,10+,14-/m0/s1 CEIXIMCVWLWYRD-AGZVQKLTSA-N 191045 US9181253, 108 Adenosine receptor A1 Homo sapiens 210 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191045&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494145 316936300 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341626 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 InChI=1S/C15H18ClN5O2/c16-14-19-12(18-7-2-1-3-7)10-13(20-14)21(6-17-10)15-4-8(15)11(23)9(22)5-15/h6-9,11,22-23H,1-5H2,(H,18,19,20)/t8-,9-,11+,15-/m0/s1 CUKGATIWMXMKCG-WKGDZTOBSA-N 191046 US9181253, 109 Adenosine receptor A1 Homo sapiens 51.6 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191046&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494146 316936301 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341627 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 InChI=1S/C17H22ClN5O2/c18-16-21-14(20-9-4-2-1-3-5-9)12-15(22-16)23(8-19-12)17-6-10(17)13(25)11(24)7-17/h8-11,13,24-25H,1-7H2,(H,20,21,22)/t10-,11-,13+,17-/m0/s1 FBEAKVULROEXMT-ORMQQPANSA-N 191050 US9181253, 110 Adenosine receptor A1 Homo sapiens 140 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191050&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494147 316936302 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341628 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 InChI=1S/C18H24ClN5O2/c19-17-22-15(21-10-5-3-1-2-4-6-10)13-16(23-17)24(9-20-13)18-7-11(18)14(26)12(25)8-18/h9-12,14,25-26H,1-8H2,(H,21,22,23)/t11-,12-,14+,18-/m0/s1 OFGOSNGPCLQGJG-LFPKGMGHSA-N 191051 US9181253, 111 Adenosine receptor A1 Homo sapiens 230 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191051&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494148 316936303 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341629 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 InChI=1S/C19H26ClN5O2/c20-18-23-16(22-11-6-4-2-1-3-5-7-11)14-17(24-18)25(10-21-14)19-8-12(19)15(27)13(26)9-19/h10-13,15,26-27H,1-9H2,(H,22,23,24)/t12-,13-,15+,19-/m0/s1 UVFJMANYMXKZFS-AEVLCDIHSA-N 191052 US9181253, 112 Adenosine receptor A1 Homo sapiens 760 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191052&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494149 316936304 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341630 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C18H22ClN5O2/c19-17-22-15(21-11-4-8-1-2-9(11)3-8)13-16(23-17)24(7-20-13)18-5-10(18)14(26)12(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t8?,9?,10-,11?,12-,14+,18-/m0/s1 CXBQRTGJJCJHGX-DOROLRBCSA-N 191053 US9181253, 113 Adenosine receptor A1 Homo sapiens 82.6 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191053&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494150 316936305 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341631 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C18H22ClN5O2/c19-17-22-15(21-11-4-8-1-2-9(11)3-8)13-16(23-17)24(7-20-13)18-5-10(18)14(26)12(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t8?,9?,10-,11?,12-,14+,18-/m0/s1 CXBQRTGJJCJHGX-DOROLRBCSA-N 191054 US9181253, 114 Adenosine receptor A1 Homo sapiens 200 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191054&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494150 316936306 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341632 CCNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 InChI=1S/C13H16ClN5O2/c1-2-15-10-8-11(18-12(14)17-10)19(5-16-8)13-3-6(13)9(21)7(20)4-13/h5-7,9,20-21H,2-4H2,1H3,(H,15,17,18)/t6-,7-,9+,13-/m0/s1 UYQIVPRVEBHZPH-FWAJVQJESA-N 191068 US9181253, 115 Adenosine receptor A1 Homo sapiens 930 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191068&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494164 316936320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341633 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCCF)nc(Cl)nc12 InChI=1S/C13H15ClFN5O2/c14-12-18-10(16-2-1-15)8-11(19-12)20(5-17-8)13-3-6(13)9(22)7(21)4-13/h5-7,9,21-22H,1-4H2,(H,16,18,19)/t6-,7-,9+,13-/m0/s1 DPUBULFFBDRKMI-FWAJVQJESA-N 191069 US9181253, 116 Adenosine receptor A1 Homo sapiens 72.7 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191069&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494165 316936321 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341634 CC(C)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 InChI=1S/C14H18ClN5O2/c1-6(2)17-11-9-12(19-13(15)18-11)20(5-16-9)14-3-7(14)10(22)8(21)4-14/h5-8,10,21-22H,3-4H2,1-2H3,(H,17,18,19)/t7-,8-,10+,14-/m0/s1 UXSFRUIFTAPXIE-AGZVQKLTSA-N 191055 US9181253, 117 Adenosine receptor A1 Homo sapiens 72.2 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191055&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494151 316936307 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341635 CCC(CC)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 InChI=1S/C16H22ClN5O2/c1-3-8(4-2)19-13-11-14(21-15(17)20-13)22(7-18-11)16-5-9(16)12(24)10(23)6-16/h7-10,12,23-24H,3-6H2,1-2H3,(H,19,20,21)/t9-,10-,12+,16-/m0/s1 AYMVFKSATLYCPH-XQDRIVNHSA-N 191056 US9181253, 118 Adenosine receptor A1 Homo sapiens 78.8 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191056&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494152 316936308 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341636 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 InChI=1S/C15H18ClN5O2/c16-14-19-12(17-5-7-1-2-7)10-13(20-14)21(6-18-10)15-3-8(15)11(23)9(22)4-15/h6-9,11,22-23H,1-5H2,(H,17,19,20)/t8-,9-,11+,15-/m0/s1 VDWGKCZTRLYCCA-WKGDZTOBSA-N 191057 US9181253, 119 Adenosine receptor A1 Homo sapiens 68.4 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191057&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494153 316936309 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341637 CC(Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2)C1CC1 InChI=1S/C16H20ClN5O2/c1-7(8-2-3-8)19-13-11-14(21-15(17)20-13)22(6-18-11)16-4-9(16)12(24)10(23)5-16/h6-10,12,23-24H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10-,12+,16-/m0/s1 VQHDZPUUACJTOO-BOOVYONZSA-N 191058 US9181253, 120c Adenosine receptor A1 Homo sapiens 86.8 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191058&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494154 316936310 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341638 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 InChI=1S/C18H22ClN5O2/c19-17-22-15(21-12(8-1-2-8)9-3-4-9)13-16(23-17)24(7-20-13)18-5-10(18)14(26)11(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t10-,11-,14+,18-/m0/s1 WNEOEKVCVVPLCJ-ZZUUJNIESA-N 191059 US9181253, 121 Adenosine receptor A1 Homo sapiens 47.9 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191059&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494155 316936311 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341639 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3ccccc3F)nc(Cl)nc12 InChI=1S/C18H17ClFN5O2/c19-17-23-15(21-7-9-3-1-2-4-11(9)20)13-16(24-17)25(8-22-13)18-5-10(18)14(27)12(26)6-18/h1-4,8,10,12,14,26-27H,5-7H2,(H,21,23,24)/t10-,12-,14+,18-/m0/s1 ZWLUSVREMOHISC-XFFUPTALSA-N 191060 US9181253, 122 Adenosine receptor A1 Homo sapiens 4790 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191060&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494156 316936312 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341640 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3cccc(OCCF)c3)nc(Cl)nc12 InChI=1S/C20H21ClFN5O3/c21-19-25-17(23-9-11-2-1-3-12(6-11)30-5-4-22)15-18(26-19)27(10-24-15)20-7-13(20)16(29)14(28)8-20/h1-3,6,10,13-14,16,28-29H,4-5,7-9H2,(H,23,25,26)/t13-,14-,16+,20-/m0/s1 ONBWPLMRNKCNOQ-AQXBJYLJSA-N 191063 US9181253, 125 Adenosine receptor A1 Homo sapiens 3580 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191063&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494159 316936315 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341641 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3cc(F)ccc3F)nc(Cl)nc12 InChI=1S/C18H16ClF2N5O2/c19-17-24-15(22-6-8-3-9(20)1-2-11(8)21)13-16(25-17)26(7-23-13)18-4-10(18)14(28)12(27)5-18/h1-3,7,10,12,14,27-28H,4-6H2,(H,22,24,25)/t10-,12-,14+,18-/m0/s1 JTESUQCWWMOESR-XFFUPTALSA-N 191064 US9181253, 126 Adenosine receptor A1 Homo sapiens 1260 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191064&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494160 316936316 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 341642 OCc1cc(F)c(F)cc1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 InChI=1S/C19H18ClF2N5O3/c20-18-25-16(23-5-8-1-11(21)12(22)2-9(8)6-28)14-17(26-18)27(7-24-14)19-3-10(19)15(30)13(29)4-19/h1-2,7,10,13,15,28-30H,3-6H2,(H,23,25,26)/t10-,13-,15+,19-/m0/s1 FCXFKNMITJNUQK-QUPAPELASA-N 191066 US9181253, 128 Adenosine receptor A1 Homo sapiens 1910 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191066&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 121494162 316936318 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 351645 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 0.5 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802051 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 351646 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16) JADDQZYHOWSFJD-UHFFFAOYSA-N 86761 CAS_35920-39-9::NECA::NSC_448222 Adenosine receptor A1 Homo sapiens 14 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802051 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86761&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 2868392 136352810 ZINC04499047 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 351647 CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25) IPSYPUKKXMNCNQ-UHFFFAOYSA-N 198126 (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide::Cl-IBMECA Adenosine receptor A1 Homo sapiens 890 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802051 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198126&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 393593 318489199 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 351648 CCCOc1cc(N)nc(SCc2ccccc2)n1 InChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17) XZZJWUQBDNSKFM-UHFFFAOYSA-N 198127 4-amino-6-alkyloxy-2-benzylthiopyrimidines (4) Adenosine receptor A1 Homo sapiens 1240 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802051 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198127&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24823756 318489200 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 351649 CC(C)COc1cc(N)nc(SCc2ccccc2)n1 InChI=1S/C15H19N3OS/c1-11(2)9-19-14-8-13(16)17-15(18-14)20-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18) OIJKJZPCNCXNCF-UHFFFAOYSA-N 198128 4-amino-6-alkyloxy-2-benzylthiopyrimidines (5) Adenosine receptor A1 Homo sapiens 1945 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802051 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198128&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90681265 318489201 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 351650 Nc1cc(OCc2ccccc2)nc(SCc2ccccc2)n1 InChI=1S/C18H17N3OS/c19-16-11-17(22-12-14-7-3-1-4-8-14)21-18(20-16)23-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20,21) JSOVQNMMVJUMMZ-UHFFFAOYSA-N 198129 4-amino-6-alkyloxy-2-benzylthiopyrimidines (6) Adenosine receptor A1 Homo sapiens 1196 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802051 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198129&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90681267 318489202 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 356194 Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1 NVUDDRWKCUAERS-PNHWDRBUSA-N 50060165 (2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::1-DEAZA-ADENOSINE::Adenosine receptor agonist, 5::CHEMBL115824 Adenosine receptor A1 Homo sapiens 84 Curated from the literature by BindingDB 10.1021/acschembio.6b00357 10.7270/Q2S75F5P 27439119 aid1802102 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060165&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1DA 1ADD,5LMZ,7XTO 159738 103955929 CHEMBL115824 ZINC03814313 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 356195 Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1 DBZQFUNLCALWDY-PNHWDRBUSA-N 82055 3-DEAZAADENOSINE::9-Deazaado::Adenosine receptor agonist, 6::CAS_6736-58-9 Adenosine receptor A1 Homo sapiens 461 Curated from the literature by BindingDB 10.1021/acschembio.6b00357 10.7270/Q2S75F5P 27439119 aid1802102 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82055&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search AD3 1R4F,1HP0,1KIE,2ZIZ 23190 131342629 5115 ZINC18193375 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 356196 Nc1nc(=O)[nH]c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 200213 Adenosine receptor agonist, 9 Adenosine receptor A1 Homo sapiens 467 Curated from the literature by BindingDB 10.1021/acschembio.6b00357 10.7270/Q2S75F5P 27439119 aid1802102 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200213&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45045221 318590038 C08432 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 356197 CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[nH]c(=O)n(C)c(=O)c12 200215 Adenosine receptor agonist, 11 Adenosine receptor A1 Homo sapiens 130 Curated from the literature by BindingDB 10.1021/acschembio.6b00357 10.7270/Q2S75F5P 27439119 aid1802102 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200215&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122199216 318590039 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 356198 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1 NMUSYJAQQFHJEW-KVTDHHQDSA-N 50424715 AZACITIDINE::Adenosine receptor agonist, 12::Ladakamycin::U-18496::Vidaza Adenosine receptor A1 Homo sapiens 2010 Curated from the literature by BindingDB 10.1021/acschembio.6b00357 10.7270/Q2S75F5P 27439119 aid1802102 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424715&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5AE 4QD3 9444 164153590 2038 DB00928 C11262 ZINC03861768 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 356199 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1Cl InChI=1S/C9H12ClN3O5/c10-4-7(11)12-2-13(8(4)17)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,11H2/t3-,5-,6-,9-/m1/s1 NPNWMVYKSHQCRI-UUOKFMHZSA-N 200217 Adenosine receptor agonist, 14 Adenosine receptor A1 Homo sapiens 359 Curated from the literature by BindingDB 10.1021/acschembio.6b00357 10.7270/Q2S75F5P 27439119 aid1802102 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200217&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122199217 318590041 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 356200 NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 IWUCXVSUMQZMFG-AFCXAGJDSA-N 50154375 Adenosine receptor agonist, 16::Ribavirin::Tribavirin::cid_37542::med.21724, Compound 180 Adenosine receptor A1 Homo sapiens 7410 Curated from the literature by BindingDB 10.1021/acschembio.6b00357 10.7270/Q2S75F5P 27439119 aid1802102 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50154375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50154375&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search RBV 5AXD,4PB1,3SFU 37542 252819749 63580 DB00811 6842 ZINC01035331 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 362964 Cn1cc2c(n1)nc(NNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c3ccc(O)cc3oc3cc(=O)ccc13)n1nc(nc21)-c1ccco1 InChI=1S/C32H21N9O6S/c1-40-14-22-27(38-40)35-31(41-29(22)34-28(39-41)23-3-2-10-46-23)36-37-32(48)33-15-4-7-18(21(11-15)30(44)45)26-19-8-5-16(42)12-24(19)47-25-13-17(43)6-9-20(25)26/h2-14,42H,1H3,(H,44,45)(H2,33,37,48)(H,35,36,38)/p-1 WNVCMUJTUUNZEO-UHFFFAOYSA-M 204853 US9227979, 1 Adenosine receptor A1 Homo sapiens 9500 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204853&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 134612075 374884189 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 362980 Nc1nc2cccc(Cl)c2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-1-4-8-10(7)12-17-11(9-5-2-6-20-9)18-19(12)13(15)16-8/h1-6H,(H2,15,16) LTHNIAHTIWLCEM-UHFFFAOYSA-N 204859 US9227979, 7 Adenosine receptor A1 Homo sapiens 3.5 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204859&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 89463312 374884190 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 362983 Clc1cccc2nc(NC(=O)CCCC#C)n3nc(nc3c12)-c1ccco1 InChI=1S/C19H14ClN5O2/c1-2-3-4-10-15(26)22-19-21-13-8-5-7-12(20)16(13)18-23-17(24-25(18)19)14-9-6-11-27-14/h1,5-9,11H,3-4,10H2,(H,21,22,26) UBFZMKZYXVCALG-UHFFFAOYSA-N 204860 US9227979, 8 Adenosine receptor A1 Homo sapiens 170 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204860&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 134133670 374884191 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 362986 Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O InChI=1S/C46H40ClN11O12S2/c47-25-11-17-34-31(22-25)43-53-42(35-8-6-20-69-35)55-58(43)46(51-34)52-36(59)9-5-7-26-23-57(56-54-26)19-4-2-1-3-18-50-44(60)24-10-12-27(30(21-24)45(61)62)37-28-13-15-32(48)40(71(63,64)65)38(28)70-39-29(37)14-16-33(49)41(39)72(66,67)68/h6,8,10-17,20-23,48H,1-5,7,9,18-19,49H2,(H,50,60)(H,61,62)(H,51,52,59)(H,63,64,65)(H,66,67,68)/p-2 OWAPJDQJQMNRHK-UHFFFAOYSA-L 204861 MRS5449::US9227979, 9 Adenosine receptor A1 Homo sapiens 87 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204861&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 134612076 374884192 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 362989 Cn1cc2c(n1)nc(NC(=O)CCCCC#C)n1nc(nc21)-c1ccco1 InChI=1S/C18H17N7O2/c1-3-4-5-6-9-14(26)19-18-21-15-12(11-24(2)22-15)17-20-16(23-25(17)18)13-8-7-10-27-13/h1,7-8,10-11H,4-6,9H2,2H3,(H,19,21,22,26) QCDXAQOOYGGZCE-UHFFFAOYSA-N 204880 EA18(5-hept-6-ynamide)/MRS5838::US9227979, 38 Adenosine receptor A1 Homo sapiens 891 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204880&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 89701152 374884207 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 393770 CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) DYIRSNMPIZZNBK-UHFFFAOYSA-N 225230 EED226::US11013745, Compound EED226 Adenosine receptor A1 Homo sapiens >3.0e+4 Curated from the literature by BindingDB 10.1038/nchembio.2304 10.7270/Q2S75F64 28135235 aid1802691 Qi, W; Zhao, K; Gu, J; Huang, Y; Wang, Y; Zhang, H; Zhang, M; Zhang, J; Yu, Z; Li, L; Teng, L; Chuai, S; Zhang, C; Zhao, M; Chan, H; Chen, Z; Fang, D; Fei, Q; Feng, L; Feng, L; Gao, Y; Ge, H; Ge, X; Li, G; Lingel, A; Lin, Y; Liu, Y; Luo, F; Shi, M; Wang, L; Wang, Z; Yu, Y; Zeng, J; Zeng, C; Zhang, L; Zhang, Q; Zhou, S; Oyang, C; Atadja, P; Li, E Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=225230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=225230&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73K 5WUK,5GSA 123132228 336292426 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 392449 C1CCC(C1)c1nc2c(Nc3ccccc3)nc3ccccc3c2[nH]1 InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25) VUYDJBYOJKYWBY-UHFFFAOYSA-N 224617 US9326978, 30 Adenosine receptor A1 Homo sapiens 3420 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224617&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10426659 336291962 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 392450 Cc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1 InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) FHLIAQGQHFKJLO-UHFFFAOYSA-N 224618 US9326978, 31 Adenosine receptor A1 Homo sapiens 3850 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11530256 336291963 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 392451 COc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1 InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) YJOOJLDFTONSNI-UHFFFAOYSA-N 224619 US9326978, 32 Adenosine receptor A1 Homo sapiens 4170 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224619&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11602914 336291964 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 392452 Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1Cl InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27) SYNRBWNXNMPXNT-UHFFFAOYSA-N 224620 US9326978, 33::US9326978, 49 Adenosine receptor A1 Homo sapiens >10000 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224620&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11553016 336291965 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 392453 Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1 InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26) ULXQEAQZAZBLPR-UHFFFAOYSA-N 224621 US9326978, 34 Adenosine receptor A1 Homo sapiens >10000 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224621&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11639150 336291966 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009903 Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24) KQKYOWHVYGWBHO-UHFFFAOYSA-N 50080287 1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-imidazolidin-2-one::CHEMBL82197 Adenosine receptor A1 Homo sapiens 422 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080287&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317578 103980458 CHEMBL82197 ZINC26490609 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009904 Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1 AQAMSAQCNMJLLH-UYAOXDASSA-N 50080290 (1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-indan-1-ol::CHEMBL441806 Adenosine receptor A1 Homo sapiens 1696 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080290&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317969 103980461 CHEMBL441806 ZINC26486558 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50006229 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CC4CC3C3OC43)ncnc12 InChI=1S/C17H21N5O5/c23-3-9-11(24)12(25)17(26-9)22-5-20-10-15(18-4-19-16(10)22)21-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,23-25H,1-3H2,(H,18,19,21)/t6?,7?,8-,9+,11+,12+,13?,14?,17+/m0/s1 NONUAFMNQOSNMV-OAVAPUNLSA-N 50450457 CHEMBL2364570 Adenosine receptor A1 Homo sapiens 0.810000 ChEMBL 10.1016/0960-894X(96)00111-4 10.7270/Q2ZK5H5H Scammells, P; Baker, S; Bellardinelli, L; Olsson, R; Russell, R; Knevitt, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450457&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71716569 225145136 CHEMBL2364570 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50006232 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CC4CC3C3OC43)ncnc12 InChI=1S/C17H21N5O5/c23-3-9-11(24)12(25)17(26-9)22-5-20-10-15(18-4-19-16(10)22)21-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,23-25H,1-3H2,(H,18,19,21)/t6?,7?,8-,9-,11-,12-,13?,14?,17-/m1/s1 NONUAFMNQOSNMV-QUFABVFXSA-N 50450456 CHEMBL2364571 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1016/0960-894X(96)00111-4 10.7270/Q2ZK5H5H Scammells, P; Baker, S; Bellardinelli, L; Olsson, R; Russell, R; Knevitt, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450456&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71717167 225145135 CHEMBL2364571 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009905 CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1 GSMWUWXMHHXWOW-INIZCTEOSA-N 50080286 (S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-4-methyl-pentan-1-ol::CHEMBL78659 Adenosine receptor A1 Homo sapiens 1910 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080286&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317558 103980457 CHEMBL78659 ZINC26483282 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009906 Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24) KQKYOWHVYGWBHO-UHFFFAOYSA-N 50080287 1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-imidazolidin-2-one::CHEMBL82197 Adenosine receptor A1 Homo sapiens 364 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080287&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317578 103980458 CHEMBL82197 ZINC26490609 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009914 CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1 GSMWUWXMHHXWOW-INIZCTEOSA-N 50080286 (S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-4-methyl-pentan-1-ol::CHEMBL78659 Adenosine receptor A1 Homo sapiens 1754 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080286&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317558 103980457 CHEMBL78659 ZINC26483282 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009915 Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16- HLFGYAZPYDYTFN-WKILWMFISA-N 50080292 4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-cyclohexanol::CHEMBL78595 Adenosine receptor A1 Homo sapiens 49 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080292&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9949650 103980463 CHEMBL78595 ZINC26485835 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009918 Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25) GSAIXPLBVQLLNN-UHFFFAOYSA-N 50080291 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyridin-4-ylmethyl-amine::CHEMBL81863 Adenosine receptor A1 Homo sapiens 222 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080291&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317576 103980462 CHEMBL81863 ZINC26491451 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009920 Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25) GSAIXPLBVQLLNN-UHFFFAOYSA-N 50080291 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyridin-4-ylmethyl-amine::CHEMBL81863 Adenosine receptor A1 Homo sapiens 262 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080291&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317576 103980462 CHEMBL81863 ZINC26491451 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009921 CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23) RHBHHAJRAODTML-UHFFFAOYSA-N 50080288 CHEMBL81616::N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-acetamide Adenosine receptor A1 Homo sapiens 24 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080288&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9901760 103980459 CHEMBL81616 ZINC26491448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009922 Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16- HLFGYAZPYDYTFN-WKILWMFISA-N 50080292 4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-cyclohexanol::CHEMBL78595 Adenosine receptor A1 Homo sapiens 25 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080292&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9949650 103980463 CHEMBL78595 ZINC26485835 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009923 CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23) RHBHHAJRAODTML-UHFFFAOYSA-N 50080288 CHEMBL81616::N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-acetamide Adenosine receptor A1 Homo sapiens 24 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080288&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9901760 103980459 CHEMBL81616 ZINC26491448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009929 Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1 AQAMSAQCNMJLLH-UYAOXDASSA-N 50080290 (1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-indan-1-ol::CHEMBL441806 Adenosine receptor A1 Homo sapiens 1810 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080290&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317969 103980461 CHEMBL441806 ZINC26486558 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009930 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009931 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 7 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50140508 C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1 UEHRRIBODAEUFE-MRXNPFEDSA-N 50051653 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-((R)-1-phenyl-ethyl)-amine::(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(1-phenyl-ethyl)-amine (DPEAP)::CHEMBL81336 Adenosine receptor A1 Homo sapiens 981 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051653&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10712345 103948641 CHEMBL81336 ZINC13756606 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50140513 Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1 AWPURNFXMIKEIM-OAHLLOKOSA-N 50080289 (R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-azepan-2-one::CHEMBL312503 Adenosine receptor A1 Homo sapiens 1256 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080289&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317916 103980460 CHEMBL312503 ZINC26477357 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50140518 C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1 UEHRRIBODAEUFE-MRXNPFEDSA-N 50051653 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-((R)-1-phenyl-ethyl)-amine::(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(1-phenyl-ethyl)-amine (DPEAP)::CHEMBL81336 Adenosine receptor A1 Homo sapiens 1981 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051653&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10712345 103948641 CHEMBL81336 ZINC13756606 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50140519 Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1 AWPURNFXMIKEIM-OAHLLOKOSA-N 50080289 (R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-azepan-2-one::CHEMBL312503 Adenosine receptor A1 Homo sapiens 771 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080289&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317916 103980460 CHEMBL312503 ZINC26477357 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011913 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 0.470000 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011915 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCC1 InChI=1S/C15H23N5O2/c1-3-7-19-12-11(13(21)20(8-4-2)15(19)22)16-14(17-12)18-9-5-6-10-18/h3-10H2,1-2H3,(H,16,17) GNPJLZZDCJQSCM-UHFFFAOYSA-N 50007834 1,3-Dipropyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione::CHEMBL417770 Adenosine receptor A1 Homo sapiens 76 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007834&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788231 103921103 CHEMBL417770 ZINC29553345 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011916 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-7-5-6-8-12(11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25) SNLPCMKKVDHGMR-UHFFFAOYSA-N 50007835 2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid::CHEMBL54836 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007835&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788199 103921104 CHEMBL54836 ZINC29548346 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011920 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1 InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19) QXHRGKKEMOXVOR-UHFFFAOYSA-N 50007838 8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-Cyclohexyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::CHEMBL160369 Adenosine receptor A1 Homo sapiens 2.5 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007838&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 184691 103921107 CHEMBL160369 ZINC05844948 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011922 CCCn1c2nc(NC3CCC3)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C15H23N5O2/c1-3-8-19-12-11(13(21)20(9-4-2)15(19)22)17-14(18-12)16-10-6-5-7-10/h10H,3-9H2,1-2H3,(H2,16,17,18) VAAUTQVZNSJYAO-UHFFFAOYSA-N 50007837 8-Cyclobutylamino-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL300334 Adenosine receptor A1 Homo sapiens 2.6 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007837&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788224 103921106 CHEMBL300334 ZINC29556291 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011923 CCCn1c2nc(CC3CCCC3)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C17H26N4O2/c1-3-9-20-15-14(16(22)21(10-4-2)17(20)23)18-13(19-15)11-12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,18,19) DKVOJBRYXQQFNB-UHFFFAOYSA-N 50007840 8-Cyclopentylmethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-Cyclopentylmethyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::CHEMBL157833 Adenosine receptor A1 Homo sapiens 69.0 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007840&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14000479 103921109 CHEMBL157833 ZINC27705139 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011929 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(C1)NC(C)=O InChI=1S/C19H29N5O3/c1-4-9-23-17-15(18(26)24(10-5-2)19(23)27)21-16(22-17)13-7-6-8-14(11-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22) FSCXKBRAKDVTOG-UHFFFAOYSA-N 50007833 CHEMBL300983::N-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexyl]-acetamide Adenosine receptor A1 Homo sapiens 41 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007833&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788206 103921102 CHEMBL300983 ZINC29555677 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011930 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 InChI=1S/C17H27N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h11-12H,3-10,18H2,1-2H3,(H,19,20) RDCNVAZBPBRDCZ-UHFFFAOYSA-N 50007843 8-(4-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione (CF3CO2H)::8-(4-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione (HCl.1/2H2O)::CHEMBL58879 Adenosine receptor A1 Homo sapiens 160 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007843&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788203 103921112 CHEMBL58879 ZINC29553686 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011931 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23) WCTROWWKIKVJMP-UHFFFAOYSA-N 50004587 8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL418101 Adenosine receptor A1 Homo sapiens 82.0 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004587&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788226 103918176 CHEMBL418101 ZINC12405346 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011932 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 InChI=1S/C20H31N5O3/c1-4-10-24-18-16(19(27)25(11-5-2)20(24)28)22-17(23-18)15-8-6-14(7-9-15)12-21-13(3)26/h14-15H,4-12H2,1-3H3,(H,21,26)(H,22,23)/t14-,15- XFYITOILSTZMGV-SHTZXODSSA-N 50007845 CHEMBL134837::N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexylmethyl]-acetamide Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007845&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788210 103921114 CHEMBL134837 ZINC27421321 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011933 CCCNC(=O)C1CCC(CC1)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 InChI=1S/C21H33N5O3/c1-4-11-22-19(27)15-9-7-14(8-10-15)17-23-16-18(24-17)25(12-5-2)21(29)26(13-6-3)20(16)28/h14-15H,4-13H2,1-3H3,(H,22,27)(H,23,24) VFFCYYPBFNEVDH-UHFFFAOYSA-N 50007846 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid propylamide::CHEMBL292661 Adenosine receptor A1 Homo sapiens 85.0 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007846&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788213 103921115 CHEMBL292661 ZINC29556125 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011936 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)OC InChI=1S/C19H28N4O4/c1-4-10-22-16-14(17(24)23(11-5-2)19(22)26)20-15(21-16)12-6-8-13(9-7-12)18(25)27-3/h12-13H,4-11H2,1-3H3,(H,20,21) LAFMOKJVWGFQPE-UHFFFAOYSA-N 50007847 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid methyl ester::CHEMBL299699 Adenosine receptor A1 Homo sapiens 130 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788202 103921116 CHEMBL299699 ZINC29558563 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011937 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1 InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16) MQNGKZXCIMDJDW-UHFFFAOYSA-N 50007848 8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL53737 Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007848&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 19003740 103921117 CHEMBL53737 ZINC12405291 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011942 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(N)C1 InChI=1S/C17H27N5O2/c1-3-8-21-15-13(16(23)22(9-4-2)17(21)24)19-14(20-15)11-6-5-7-12(18)10-11/h11-12H,3-10,18H2,1-2H3,(H,19,20) UJIBBITWRBXXCH-UHFFFAOYSA-N 50007849 8-(3-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione (CF3CO2H.1/2H2O)::CHEMBL56673 Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007849&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44299582 103921118 CHEMBL56673 ZINC29555688 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011945 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCCC1 InChI=1S/C16H25N5O2/c1-3-8-20-13-12(14(22)21(9-4-2)16(20)23)17-15(18-13)19-10-6-5-7-11-19/h3-11H2,1-2H3,(H,17,18) WOPQNXWWFKTQJA-UHFFFAOYSA-N 50007841 8-Piperidin-1-yl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL55883 Adenosine receptor A1 Homo sapiens 22 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007841&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 19003749 103921110 CHEMBL55883 ZINC29553056 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011946 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C InChI=1S/C23H38N6O3/c1-6-12-28-20-18(22(31)29(13-7-2)23(28)32)24-19(25-20)16-8-10-17(11-9-16)21(30)27(5)15-14-26(3)4/h16-17H,6-15H2,1-5H3,(H,24,25) VADKLJKKGYYWKJ-UHFFFAOYSA-N 50007839 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid (2-dimethylamino-ethyl)-methyl-amide::4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid (2-dimethylamino-ethyl)-methyl-amide(HCl.3/2H2O)::CHEMBL294869 Adenosine receptor A1 Homo sapiens 17.0 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007839&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788211 103921108 CHEMBL294869 ZINC29556174 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011947 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O InChI=1S/C19H29N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22) LCVFOTNHCZQVPU-UHFFFAOYSA-N 50007836 CHEMBL56251::N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexyl]-acetamide Adenosine receptor A1 Homo sapiens 70.0 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007836&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995352 103921105 CHEMBL56251 ZINC29555546 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011948 CCCn1c2nc(NC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C17H27N5O2/c1-3-10-21-14-13(15(23)22(11-4-2)17(21)24)19-16(20-14)18-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H2,18,19,20) NYRQDQZPNUIGHI-UHFFFAOYSA-N 50007851 8-Cyclohexylamino-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL59529 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007851&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788225 103921120 CHEMBL59529 ZINC29554288 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011949 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1C InChI=1S/C15H22N4O2/c1-4-6-18-13-11(14(20)19(7-5-2)15(18)21)16-12(17-13)10-8-9(10)3/h9-10H,4-8H2,1-3H3,(H,16,17) LXEBSVWTCDCJOZ-UHFFFAOYSA-N 50007853 8-(2-Methyl-cyclopropyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL57554 Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007853&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788237 103921122 CHEMBL57554 ZINC29557406 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011960 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C InChI=1S/C22H36N6O3/c1-6-11-27-19-17(21(30)28(12-7-2)22(27)31)23-18(24-19)15-9-8-10-16(15)20(29)26(5)14-13-25(3)4/h15-16H,6-14H2,1-5H3,(H,23,24) AMDKNJXHYHSSLT-UHFFFAOYSA-N 50007842 2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentanecarboxylic acid (2-dimethylamino-ethyl)-methyl-amide::2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentanecarboxylic acid (2-dimethylamino-ethyl)-methyl-amide(C4H4O4)::CHEMBL57076 Adenosine receptor A1 Homo sapiens 53.0 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007842&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788232 103921111 CHEMBL57076 ZINC29560547 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011961 CCCn1c2nc(NC3CCCC3)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C16H25N5O2/c1-3-9-20-13-12(14(22)21(10-4-2)16(20)23)18-15(19-13)17-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H2,17,18,19) IPQNBNAKZYRBHN-UHFFFAOYSA-N 50007854 8-Cyclopentylamino-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL53453 Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007854&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788223 103921123 CHEMBL53453 ZINC29548401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011973 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1=C(CCC1)C(O)=O InChI=1S/C17H22N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h3-9H2,1-2H3,(H,18,19)(H,23,24) NCXBTLIXNVJPLZ-UHFFFAOYSA-N 50007852 2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopent-1-enecarboxylic acid (H2O)::CHEMBL301403 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007852&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788227 103921121 CHEMBL301403 ZINC29556377 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011974 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 InChI=1S/C18H29N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h12-13H,3-11,19H2,1-2H3,(H,20,21) GHPLWQRIVGHSEY-UHFFFAOYSA-N 50007855 8-(4-Aminomethyl-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione (HCl.1/2EtOH)::CHEMBL56409 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007855&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788208 103921124 CHEMBL56409 ZINC29555032 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011975 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC1C(O)=O InChI=1S/C16H22N4O4/c1-3-7-19-13-11(14(21)20(8-4-2)16(19)24)17-12(18-13)9-5-6-10(9)15(22)23/h9-10H,3-8H2,1-2H3,(H,17,18)(H,22,23) HBYOUOWTIXMALV-UHFFFAOYSA-N 50007856 2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclobutanecarboxylic acid::CHEMBL58380 Adenosine receptor A1 Homo sapiens 660.0 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007856&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788235 103921125 CHEMBL58380 ZINC29563603 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011976 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25) ZVVKJJVTWDPGLA-UHFFFAOYSA-N 50007844 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid::CHEMBL57503 Adenosine receptor A1 Homo sapiens 59.0 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007844&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995251 103921113 CHEMBL57503 ZINC29557778 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011978 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O InChI=1S/C17H24N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h10-11H,3-9H2,1-2H3,(H,18,19)(H,23,24) JFTHJBIEDWJANN-UHFFFAOYSA-N 50007850 (cis)2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentanecarboxylic acid::(trans)2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentanecarboxylic acid::CHEMBL292382 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1021/jm00169a012 10.7270/Q22F7MD6 1694546 Katsushima, T; Nieves, L; Wells, JN Vanderbilt University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007850&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14788228 103921119 CHEMBL292382 ZINC29556167 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009909 Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24) KQKYOWHVYGWBHO-UHFFFAOYSA-N 50080287 1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-imidazolidin-2-one::CHEMBL82197 Adenosine receptor A1 Homo sapiens 144 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080287&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317578 103980458 CHEMBL82197 ZINC26490609 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009910 CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23) RHBHHAJRAODTML-UHFFFAOYSA-N 50080288 CHEMBL81616::N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-acetamide Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080288&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9901760 103980459 CHEMBL81616 ZINC26491448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009911 Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25) GSAIXPLBVQLLNN-UHFFFAOYSA-N 50080291 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyridin-4-ylmethyl-amine::CHEMBL81863 Adenosine receptor A1 Homo sapiens 132 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080291&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317576 103980462 CHEMBL81863 ZINC26491451 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009912 Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1 AWPURNFXMIKEIM-OAHLLOKOSA-N 50080289 (R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-azepan-2-one::CHEMBL312503 Adenosine receptor A1 Homo sapiens 1535 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080289&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317916 103980460 CHEMBL312503 ZINC26477357 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009917 Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1 AQAMSAQCNMJLLH-UYAOXDASSA-N 50080290 (1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-indan-1-ol::CHEMBL441806 Adenosine receptor A1 Homo sapiens 896 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080290&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317969 103980461 CHEMBL441806 ZINC26486558 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009924 C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1 UEHRRIBODAEUFE-MRXNPFEDSA-N 50051653 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-((R)-1-phenyl-ethyl)-amine::(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(1-phenyl-ethyl)-amine (DPEAP)::CHEMBL81336 Adenosine receptor A1 Homo sapiens 1607 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051653&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10712345 103948641 CHEMBL81336 ZINC13756606 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50009925 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 13 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011426 OC[C@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(NC3CC4CC3[C@H]3O[C@@H]43)ncnc12 InChI=1S/C17H21N5O5/c23-3-9-11(24)12(25)17(26-9)22-5-20-10-15(18-4-19-16(10)22)21-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,23-25H,1-3H2,(H,18,19,21)/t6?,7?,8?,9-,11+,12+,13+,14-,17+/m1/s1 NONUAFMNQOSNMV-LMMCOWNLSA-N 50451007 CHEMBL2112106 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1016/s0960-894x(99)00109-2 10.7270/Q22N52ST 10230614 Hutchinson, SA; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451007&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71457987 225145231 CHEMBL2112106 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50011427 OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(NC3CC4CC3[C@@H]3O[C@H]43)ncnc12 InChI=1S/C17H21N5O5/c23-3-9-11(24)12(25)17(26-9)22-5-20-10-15(18-4-19-16(10)22)21-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,23-25H,1-3H2,(H,18,19,21)/t6?,7?,8?,9-,11-,12-,13+,14-,17-/m0/s1 NONUAFMNQOSNMV-KHMUPZNOSA-N 50451006 CHEMBL2112185 Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1016/s0960-894x(99)00109-2 10.7270/Q22N52ST 10230614 Hutchinson, SA; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451006&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71456197 225145230 CHEMBL2112185 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50018368 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27) STSWKOTUOJVWJD-UHFFFAOYSA-N 50095602 4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL321218 Adenosine receptor A1 Homo sapiens 0.360 ChEMBL 10.1016/s0960-894x(02)00639-x 10.7270/Q24F1Q29 12372528 Beauglehole, AR; Baker, SP; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095602&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10368871 103993259 CHEMBL321218 ZINC36113808 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50018370 CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CC2CCC1C2 InChI=1S/C26H31FN4O5S/c1-2-12-31-25(33)22-24(29-23(28-22)20-15-16-6-7-18(20)14-16)30(26(31)34)13-4-3-5-21(32)17-8-10-19(11-9-17)37(27,35)36/h8-11,16,18,20H,2-7,12-15H2,1H3,(H,28,29) CUPRZGLGSKHKRQ-UHFFFAOYSA-N 50120221 4-[5-(8-Bicyclo[2.2.1]hept-2-yl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-pentanoyl]-benzenesulfonyl fluoride::CHEMBL107646 Adenosine receptor A1 Homo sapiens 0.530000 ChEMBL 10.1016/s0960-894x(02)00639-x 10.7270/Q24F1Q29 12372528 Beauglehole, AR; Baker, SP; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44337955 104013342 CHEMBL107646 ZINC36123968 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50018371 CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C25H31FN4O5S/c1-2-15-30-24(32)21-23(28-22(27-21)18-8-4-3-5-9-18)29(25(30)33)16-7-6-10-20(31)17-11-13-19(14-12-17)36(26,34)35/h11-14,18H,2-10,15-16H2,1H3,(H,27,28) AHPJUSSESRHGJN-UHFFFAOYSA-N 50120223 4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-pentanoyl]-benzenesulfonyl fluoride::CHEMBL108552 Adenosine receptor A1 Homo sapiens 0.400000 ChEMBL 10.1016/s0960-894x(02)00639-x 10.7270/Q24F1Q29 12372528 Beauglehole, AR; Baker, SP; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120223&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10481731 104013344 CHEMBL108552 ZINC36123971 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50016457 COc1cc2Cc3sc(N)nc3-c2cc1OC InChI=1S/C12H12N2O2S.HI/c1-15-8-3-6-4-10-11(14-12(13)17-10)7(6)5-9(8)16-2;/h3,5H,4H2,1-2H3,(H2,13,14);1H WIUKUZIKTRGASW-UHFFFAOYSA-N 50451379 CHEMBL43299 Adenosine receptor A1 Homo sapiens 63095734 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451379&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10292899 225145352 CHEMBL43299 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50016459 CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1 InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H RZVHNWFWKMVRSL-UHFFFAOYSA-N 50451378 CHEMBL39106 Adenosine receptor A1 Homo sapiens 158489 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451378&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10200261 225145351 CHEMBL39106 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50016462 CC(=O)Oc1cccc-2c1Cc1sc(N)nc-21 InChI=1S/C12H10N2O2S.HI/c1-6(15)16-9-4-2-3-7-8(9)5-10-11(7)14-12(13)17-10;/h2-4H,5H2,1H3,(H2,13,14);1H OYFWSJUVLXBPKC-UHFFFAOYSA-N 50451380 CHEMBL39388 Adenosine receptor A1 Homo sapiens 501187234 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451380&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9976651 225145353 CHEMBL39388 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50016464 COc1ccc2-c3nc(N)sc3CCc2c1 InChI=1S/C12H12N2OS.HI/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);1H WVBJVQQYYLULNU-UHFFFAOYSA-N 50451381 CHEMBL38779 Adenosine receptor A1 Homo sapiens 2.00 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451381&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10021401 225145354 CHEMBL38779 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036394 CCCn1c2nc(CNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C19H22FN5O5S/c1-3-8-24-16-15(18(27)25(9-4-2)19(24)28)22-14(23-16)11-21-17(26)12-6-5-7-13(10-12)31(20,29)30/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,21,26)(H,22,23) VDVSSKIIVMPSPR-UHFFFAOYSA-N 50039675 3-[(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-carbamoyl]-benzenesulfonyl fluoride::CHEMBL89939 Adenosine receptor A1 Homo sapiens 0.690000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039675&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10026817 103946870 CHEMBL89939 ZINC12405650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036395 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)CBr InChI=1S/C18H25BrN4O4/c1-3-7-22-16-14(17(25)23(8-4-2)18(22)26)20-15(21-16)11-5-6-12(9-11)27-13(24)10-19/h11-12H,3-10H2,1-2H3,(H,20,21) DHSWQSKKSQHZGX-UHFFFAOYSA-N 50039674 Bromo-acetic acid 3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentyl ester::CHEMBL88128 Adenosine receptor A1 Homo sapiens 0.710000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039674&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10455955 103946869 CHEMBL88128 ZINC12405661 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036396 CCCn1c2nc(NC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C18H20FN5O5S/c1-3-8-23-14-13(16(26)24(9-4-2)18(23)27)20-17(21-14)22-15(25)11-6-5-7-12(10-11)30(19,28)29/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22,25) ZPVVBXADJGZUBV-UHFFFAOYSA-N 50039689 3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylcarbamoyl)-benzenesulfonyl fluoride::CHEMBL93600 Adenosine receptor A1 Homo sapiens 3500 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039689&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10320870 103946884 CHEMBL93600 ZINC12405649 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036397 CCCn1c2nc(NC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C13H18BrN5O3/c1-3-5-18-10-9(11(21)19(6-4-2)13(18)22)16-12(17-10)15-8(20)7-14/h3-7H2,1-2H3,(H2,15,16,17,20) FBEOSWGQTJLNDR-UHFFFAOYSA-N 50039684 2-Bromo-N-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-acetamide::CHEMBL94284 Adenosine receptor A1 Homo sapiens 17000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039684&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10451887 103946879 CHEMBL94284 ZINC12405644 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036398 CCCn1c2nc(CCCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C21H26FN5O5S/c1-3-11-26-18-17(20(29)27(12-4-2)21(26)30)24-16(25-18)9-6-10-23-19(28)14-7-5-8-15(13-14)33(22,31)32/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,23,28)(H,24,25) NDOXGECHRSCPAH-UHFFFAOYSA-N 50039691 3-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL90720 Adenosine receptor A1 Homo sapiens 2600 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039691&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10435244 103946886 CHEMBL90720 ZINC12405652 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036399 CCCn1c2nc(NC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C18H20FN5O5S/c1-3-9-23-14-13(16(26)24(10-4-2)18(23)27)20-17(21-14)22-15(25)11-5-7-12(8-6-11)30(19,28)29/h5-8H,3-4,9-10H2,1-2H3,(H2,20,21,22,25) MJXSWDVTVSUXNH-UHFFFAOYSA-N 50039682 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylcarbamoyl)-benzenesulfonyl fluoride::CHEMBL90745 Adenosine receptor A1 Homo sapiens 4200 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039682&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10048706 103946877 CHEMBL90745 ZINC12405653 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036400 FS(=O)(=O)c1ccc(cc1)C(=O)OCCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1 InChI=1S/C30H30F2N4O10S2/c31-47(41,42)22-11-7-20(8-12-22)28(38)45-17-3-15-35-26-24(33-25(34-26)19-5-1-2-6-19)27(37)36(30(35)40)16-4-18-46-29(39)21-9-13-23(14-10-21)48(32,43)44/h7-14,19H,1-6,15-18H2,(H,33,34) LYIXTUFBFWFAFP-UHFFFAOYSA-N 50039678 8-cyclopentyl-1,3-di[3-(4-fluorosulfonylphenylcarbonyloxy)propyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine::CHEMBL328033 Adenosine receptor A1 Homo sapiens 0.820000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039678&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11765357 103946873 CHEMBL328033 ZINC49733785 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036401 CCCn1c2nc(CNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C19H22FN5O5S/c1-3-8-24-16-15(18(27)25(9-4-2)19(24)28)22-14(23-16)11-21-17(26)12-6-5-7-13(10-12)31(20,29)30/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,21,26)(H,22,23) VDVSSKIIVMPSPR-UHFFFAOYSA-N 50039675 3-[(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-carbamoyl]-benzenesulfonyl fluoride::CHEMBL89939 Adenosine receptor A1 Homo sapiens 14000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039675&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10026817 103946870 CHEMBL89939 ZINC12405650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036402 CCCN1C(=O)C2NC(NC2N(CCCOC(=O)CBr)C1=O)C1CCCC1 InChI=1S/C18H29BrN4O4/c1-2-8-23-17(25)14-16(21-15(20-14)12-6-3-4-7-12)22(18(23)26)9-5-10-27-13(24)11-19/h12,14-16,20-21H,2-11H2,1H3 CVNUUCOUXOZJMS-UHFFFAOYSA-N 50039695 Bromo-acetic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-octahydro-purin-3-yl)-propyl ester::CHEMBL329774 Adenosine receptor A1 Homo sapiens 9 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039695&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44324421 103946890 CHEMBL329774 ZINC36123960 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036403 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)c1cccc(c1)S(F)(=O)=O InChI=1S/C23H27FN4O6S/c1-3-10-27-20-18(21(29)28(11-4-2)23(27)31)25-19(26-20)14-8-9-16(12-14)34-22(30)15-6-5-7-17(13-15)35(24,32)33/h5-7,13-14,16H,3-4,8-12H2,1-2H3,(H,25,26) MZGBCGAANFHDOD-UHFFFAOYSA-N 50039696 3-Fluorosulfonyl-benzoic acid 3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentyl ester::CHEMBL314539 Adenosine receptor A1 Homo sapiens 1.3 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039696&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10368912 103946891 CHEMBL314539 ZINC12405665 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036404 CCCn1c2nc(CCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C20H24FN5O5S/c1-3-10-25-17-16(19(28)26(11-4-2)20(25)29)23-15(24-17)8-9-22-18(27)13-6-5-7-14(12-13)32(21,30)31/h5-7,12H,3-4,8-11H2,1-2H3,(H,22,27)(H,23,24) QNIVOVVBDSGOEM-UHFFFAOYSA-N 50039685 3-[2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-ethylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL330335 Adenosine receptor A1 Homo sapiens 700 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039685&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10367224 103946880 CHEMBL330335 ZINC12405651 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036405 CCCn1c2nc(CCCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C21H26FN5O5S/c1-3-12-26-18-17(20(29)27(13-4-2)21(26)30)24-16(25-18)6-5-11-23-19(28)14-7-9-15(10-8-14)33(22,31)32/h7-10H,3-6,11-13H2,1-2H3,(H,23,28)(H,24,25) NTTROYHIODZBSX-UHFFFAOYSA-N 50039677 4-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL89920 Adenosine receptor A1 Homo sapiens 1.8 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039677&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10390375 103946872 CHEMBL89920 ZINC12405656 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036406 CCCn1c2nc(CN3C(=O)C=CC3=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C16H19N5O4/c1-3-7-19-14-13(15(24)20(8-4-2)16(19)25)17-10(18-14)9-21-11(22)5-6-12(21)23/h5-6H,3-4,7-9H2,1-2H3,(H,17,18) ZPHVCRBMRXQAFM-UHFFFAOYSA-N 50039680 8-(2,5-Dioxo-2,5-dihydro-pyrrol-1-ylmethyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL94234 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039680&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10405277 103946875 CHEMBL94234 ZINC12405642 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036407 CCCn1c2nc(CCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C20H24FN5O5S/c1-3-11-25-17-16(19(28)26(12-4-2)20(25)29)23-15(24-17)9-10-22-18(27)13-5-7-14(8-6-13)32(21,30)31/h5-8H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,24) PZMBKGJZSFEIOM-UHFFFAOYSA-N 50039688 4-[2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-ethylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL329810 Adenosine receptor A1 Homo sapiens 700 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039688&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10027485 103946883 CHEMBL329810 ZINC12405655 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50036408 CCCn1c(=O)n(CC(C)OC(=O)CBr)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C18H25BrN4O4/c1-3-8-22-17(25)14-16(21-15(20-14)12-6-4-5-7-12)23(18(22)26)10-11(2)27-13(24)9-19/h11-12H,3-10H2,1-2H3,(H,20,21) LTYRNKXCUTXKGC-UHFFFAOYSA-N 50039697 Bromo-acetic acid 2-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-1-methyl-ethyl ester::CHEMBL91604 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039697&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10411021 103946892 CHEMBL91604 ZINC12405671 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50047129 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21 InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20) OQCJPFYWFGUHIN-UHFFFAOYSA-N 50058235 8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL298474 Adenosine receptor A1 Homo sapiens 0.450000 ChEMBL 10.1021/jm970013w 10.7270/Q28K786M 9191953 Pfister, JR; Belardinelli, L; Lee, G; Lum, RT; Milner, P; Stanley, WC; Linden, J; Baker, SP; Schreiner, G CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50058235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50058235&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9798222 103954212 CHEMBL298474 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50065442 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A1 Homo sapiens 222 ChEMBL 10.1016/j.bmcl.2004.07.042 10.7270/Q2GB24TK 15341938 Jeong, LS; Kim, MJ; Kim, HO; Gao, ZG; Kim, SK; Jacobson, KA; Chun, MW Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062346 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)CBr InChI=1S/C18H25BrN4O4/c1-3-7-22-16-14(17(25)23(8-4-2)18(22)26)20-15(21-16)11-5-6-12(9-11)27-13(24)10-19/h11-12H,3-10H2,1-2H3,(H,20,21) DHSWQSKKSQHZGX-UHFFFAOYSA-N 50039674 Bromo-acetic acid 3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentyl ester::CHEMBL88128 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039674&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10455955 103946869 CHEMBL88128 ZINC12405661 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062350 CCCn1c2nc(CCCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C21H26FN5O5S/c1-3-12-26-18-17(20(29)27(13-4-2)21(26)30)24-16(25-18)6-5-11-23-19(28)14-7-9-15(10-8-14)33(22,31)32/h7-10H,3-6,11-13H2,1-2H3,(H,23,28)(H,24,25) NTTROYHIODZBSX-UHFFFAOYSA-N 50039677 4-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL89920 Adenosine receptor A1 Homo sapiens 800 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039677&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10390375 103946872 CHEMBL89920 ZINC12405656 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062353 CCCn1c2nc(CN3C(=O)C=CC3=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C16H19N5O4/c1-3-7-19-14-13(15(24)20(8-4-2)16(19)25)17-10(18-14)9-21-11(22)5-6-12(21)23/h5-6H,3-4,7-9H2,1-2H3,(H,17,18) ZPHVCRBMRXQAFM-UHFFFAOYSA-N 50039680 8-(2,5-Dioxo-2,5-dihydro-pyrrol-1-ylmethyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL94234 Adenosine receptor A1 Homo sapiens 0.73 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039680&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10405277 103946875 CHEMBL94234 ZINC12405642 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062359 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)c1ccc(cc1)S(F)(=O)=O InChI=1S/C23H27FN4O6S/c1-3-11-27-20-18(21(29)28(12-4-2)23(27)31)25-19(26-20)15-5-8-16(13-15)34-22(30)14-6-9-17(10-7-14)35(24,32)33/h6-7,9-10,15-16H,3-5,8,11-13H2,1-2H3,(H,25,26) VOMRMLOUZQBJRD-UHFFFAOYSA-N 50039683 4-Fluorosulfonyl-benzoic acid 3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentyl ester::CHEMBL94105 Adenosine receptor A1 Homo sapiens 60 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039683&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10051921 103946878 CHEMBL94105 ZINC12405669 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062360 CCCn1c2nc(NC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C13H18BrN5O3/c1-3-5-18-10-9(11(21)19(6-4-2)13(18)22)16-12(17-10)15-8(20)7-14/h3-7H2,1-2H3,(H2,15,16,17,20) FBEOSWGQTJLNDR-UHFFFAOYSA-N 50039684 2-Bromo-N-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-acetamide::CHEMBL94284 Adenosine receptor A1 Homo sapiens 1.3 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039684&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10451887 103946879 CHEMBL94284 ZINC12405644 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062362 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)c(c1)[N+]([O-])=O InChI=1S/C17H18ClN5O4/c1-3-7-21-15-13(16(24)22(8-4-2)17(21)25)19-14(20-15)10-5-6-11(18)12(9-10)23(26)27/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20) MWLPFEPRJNTKJE-UHFFFAOYSA-N 50039687 8-(4-Chloro-3-nitro-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL90937 Adenosine receptor A1 Homo sapiens 7000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039687&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10091878 103946882 CHEMBL90937 ZINC12405639 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062363 CCCn1c2nc(CCNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C15H22BrN5O3/c1-3-7-20-13-12(14(23)21(8-4-2)15(20)24)18-10(19-13)5-6-17-11(22)9-16/h3-9H2,1-2H3,(H,17,22)(H,18,19) OEFKTFICMZQWRC-UHFFFAOYSA-N 50039686 2-Bromo-N-[2-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-ethyl]-acetamide::CHEMBL93674 Adenosine receptor A1 Homo sapiens 4000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039686&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10386251 103946881 CHEMBL93674 ZINC12405646 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062366 CCCn1c2nc(NC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C18H20FN5O5S/c1-3-8-23-14-13(16(26)24(9-4-2)18(23)27)20-17(21-14)22-15(25)11-6-5-7-12(10-11)30(19,28)29/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22,25) ZPVVBXADJGZUBV-UHFFFAOYSA-N 50039689 3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylcarbamoyl)-benzenesulfonyl fluoride::CHEMBL93600 Adenosine receptor A1 Homo sapiens 0.79 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039689&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10320870 103946884 CHEMBL93600 ZINC12405649 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062367 CCCn1c2nc(CCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C20H24FN5O5S/c1-3-10-25-17-16(19(28)26(11-4-2)20(25)29)23-15(24-17)8-9-22-18(27)13-6-5-7-14(12-13)32(21,30)31/h5-7,12H,3-4,8-11H2,1-2H3,(H,22,27)(H,23,24) QNIVOVVBDSGOEM-UHFFFAOYSA-N 50039685 3-[2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-ethylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL330335 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039685&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10367224 103946880 CHEMBL330335 ZINC12405651 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062369 CCCn1c2nc(CNC(=O)c3ccccc3)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C19H23N5O3/c1-3-10-23-16-15(18(26)24(11-4-2)19(23)27)21-14(22-16)12-20-17(25)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,20,25)(H,21,22) AJDXMOPDXIREQH-UHFFFAOYSA-N 50039690 CHEMBL90298::N-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-benzamide Adenosine receptor A1 Homo sapiens 6300 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039690&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10067676 103946885 CHEMBL90298 ZINC12405657 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062373 CCCn1c2nc(CCCCCN3C(=O)C=CC3=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C20H27N5O4/c1-3-11-24-18-17(19(28)25(12-4-2)20(24)29)21-14(22-18)8-6-5-7-13-23-15(26)9-10-16(23)27/h9-10H,3-8,11-13H2,1-2H3,(H,21,22) CXPODJOZEZYXFM-UHFFFAOYSA-N 50039693 8-[5-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-pentyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL446355 Adenosine receptor A1 Homo sapiens 2200 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039693&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10453675 103946888 CHEMBL446355 ZINC12405643 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062375 CCCn1c2nc(CCCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C21H26FN5O5S/c1-3-11-26-18-17(20(29)27(12-4-2)21(26)30)24-16(25-18)9-6-10-23-19(28)14-7-5-8-15(13-14)33(22,31)32/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,23,28)(H,24,25) NDOXGECHRSCPAH-UHFFFAOYSA-N 50039691 3-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL90720 Adenosine receptor A1 Homo sapiens 0.86 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039691&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10435244 103946886 CHEMBL90720 ZINC12405652 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062376 CCCn1c2nc(CCCCCNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C18H28BrN5O3/c1-3-10-23-16-15(17(26)24(11-4-2)18(23)27)21-13(22-16)8-6-5-7-9-20-14(25)12-19/h3-12H2,1-2H3,(H,20,25)(H,21,22) ZUXZMCGFZZAESD-UHFFFAOYSA-N 50039692 2-Bromo-N-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-pentyl]-acetamide::CHEMBL91505 Adenosine receptor A1 Homo sapiens 1200 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039692&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10366048 103946887 CHEMBL91505 ZINC12405648 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062377 CCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1 InChI=1S/C23H27FN4O6S/c1-2-12-27-20-18(25-19(26-20)15-6-3-4-7-15)21(29)28(23(27)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26) XMBCEKSLDYYQEL-UHFFFAOYSA-N 50039681 4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-purin-1-yl)-propyl ester::CHEMBL90702 Adenosine receptor A1 Homo sapiens 87.0 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039681&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10391480 103946876 CHEMBL90702 ZINC12405674 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062378 CCCN1C(=O)C2NC(NC2N(CCCOC(=O)CBr)C1=O)C1CCCC1 InChI=1S/C18H29BrN4O4/c1-2-8-23-17(25)14-16(21-15(20-14)12-6-3-4-7-12)22(18(23)26)9-5-10-27-13(24)11-19/h12,14-16,20-21H,2-11H2,1H3 CVNUUCOUXOZJMS-UHFFFAOYSA-N 50039695 Bromo-acetic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-octahydro-purin-3-yl)-propyl ester::CHEMBL329774 Adenosine receptor A1 Homo sapiens 1.5 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039695&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44324421 103946890 CHEMBL329774 ZINC36123960 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062379 FS(=O)(=O)c1ccc(cc1)C(=O)OCCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1 InChI=1S/C30H30F2N4O10S2/c31-47(41,42)22-11-7-20(8-12-22)28(38)45-17-3-15-35-26-24(33-25(34-26)19-5-1-2-6-19)27(37)36(30(35)40)16-4-18-46-29(39)21-9-13-23(14-10-21)48(32,43)44/h7-14,19H,1-6,15-18H2,(H,33,34) LYIXTUFBFWFAFP-UHFFFAOYSA-N 50039678 8-cyclopentyl-1,3-di[3-(4-fluorosulfonylphenylcarbonyloxy)propyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine::CHEMBL328033 Adenosine receptor A1 Homo sapiens 3500 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039678&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11765357 103946873 CHEMBL328033 ZINC49733785 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062381 CCCn1c(=O)n(CC(C)OC(=O)CBr)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C18H25BrN4O4/c1-3-8-22-17(25)14-16(21-15(20-14)12-6-4-5-7-12)23(18(22)26)10-11(2)27-13(24)9-19/h11-12H,3-10H2,1-2H3,(H,20,21) LTYRNKXCUTXKGC-UHFFFAOYSA-N 50039697 Bromo-acetic acid 2-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-1-methyl-ethyl ester::CHEMBL91604 Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039697&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10411021 103946892 CHEMBL91604 ZINC12405671 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062383 CCCn1c2nc(NCCCl)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C13H20ClN5O2/c1-3-7-18-10-9(16-12(17-10)15-6-5-14)11(20)19(8-4-2)13(18)21/h3-8H2,1-2H3,(H2,15,16,17) ASFJVTRGZXEUBH-UHFFFAOYSA-N 50039698 8-(2-Chloro-ethylamino)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL328953 Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039698&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9972895 103946893 CHEMBL328953 ZINC12405640 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062385 CCCn1c2nc(CCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C20H24FN5O5S/c1-3-11-25-17-16(19(28)26(12-4-2)20(25)29)23-15(24-17)9-10-22-18(27)13-5-7-14(8-6-13)32(21,30)31/h5-8H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,24) PZMBKGJZSFEIOM-UHFFFAOYSA-N 50039688 4-[2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-ethylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL329810 Adenosine receptor A1 Homo sapiens 0.74 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039688&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10027485 103946883 CHEMBL329810 ZINC12405655 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062388 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccnc1Cl InChI=1S/C16H18ClN5O2/c1-3-8-21-14-11(15(23)22(9-4-2)16(21)24)19-13(20-14)10-6-5-7-18-12(10)17/h5-7H,3-4,8-9H2,1-2H3,(H,19,20) DOSGHZWNKUURKO-UHFFFAOYSA-N 50039699 8-(2-Chloro-pyridin-3-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL90037 Adenosine receptor A1 Homo sapiens 2500 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039699&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44324599 103946894 CHEMBL90037 ZINC26651782 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062389 CCCn1c2nc(CNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C19H22FN5O5S/c1-3-8-24-16-15(18(27)25(9-4-2)19(24)28)22-14(23-16)11-21-17(26)12-6-5-7-13(10-12)31(20,29)30/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,21,26)(H,22,23) VDVSSKIIVMPSPR-UHFFFAOYSA-N 50039675 3-[(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-carbamoyl]-benzenesulfonyl fluoride::CHEMBL89939 Adenosine receptor A1 Homo sapiens 0.69 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039675&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10026817 103946870 CHEMBL89939 ZINC12405650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062390 CCCn1c2nc(CNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C19H22FN5O5S/c1-3-9-24-16-15(18(27)25(10-4-2)19(24)28)22-14(23-16)11-21-17(26)12-5-7-13(8-6-12)31(20,29)30/h5-8H,3-4,9-11H2,1-2H3,(H,21,26)(H,22,23) IWKAWXIFWZOYGS-UHFFFAOYSA-N 50039694 4-[(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-carbamoyl]-benzenesulfonyl fluoride::CHEMBL91284 Adenosine receptor A1 Homo sapiens 2000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039694&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9981250 103946889 CHEMBL91284 ZINC12405654 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062391 CCCn1c2nc(CNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C14H20BrN5O3/c1-3-5-19-12-11(13(22)20(6-4-2)14(19)23)17-9(18-12)8-16-10(21)7-15/h3-8H2,1-2H3,(H,16,21)(H,17,18) JBLKXGMBLQNXCE-UHFFFAOYSA-N 50039700 2-Bromo-N-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-acetamide::CHEMBL91135 Adenosine receptor A1 Homo sapiens 11000 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039700&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10023011 103946895 CHEMBL91135 ZINC12405645 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062392 CCCn1c(=O)n(CCCOC(=O)c2cccc(c2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H27FN4O6S/c1-2-11-28-21(29)18-20(26-19(25-18)15-7-3-4-8-15)27(23(28)31)12-6-13-34-22(30)16-9-5-10-17(14-16)35(24,32)33/h5,9-10,14-15H,2-4,6-8,11-13H2,1H3,(H,25,26) DYRCETOICKFXCD-UHFFFAOYSA-N 50039701 3-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester::CHEMBL90627 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039701&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10074917 103946896 CHEMBL90627 ZINC12405673 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062395 CCCn1c2nc(NC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C18H20FN5O5S/c1-3-9-23-14-13(16(26)24(10-4-2)18(23)27)20-17(21-14)22-15(25)11-5-7-12(8-6-11)30(19,28)29/h5-8H,3-4,9-10H2,1-2H3,(H2,20,21,22,25) MJXSWDVTVSUXNH-UHFFFAOYSA-N 50039682 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylcarbamoyl)-benzenesulfonyl fluoride::CHEMBL90745 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039682&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10048706 103946877 CHEMBL90745 ZINC12405653 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062396 CCCn1c2nc(CCCNC(=O)CBr)[nH]c2c(=O)n(CCC)c1=O InChI=1S/C16H24BrN5O3/c1-3-8-21-14-13(15(24)22(9-4-2)16(21)25)19-11(20-14)6-5-7-18-12(23)10-17/h3-10H2,1-2H3,(H,18,23)(H,19,20) ROIJQCVJQSWTTQ-UHFFFAOYSA-N 50039679 2-Bromo-N-[3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-propyl]-acetamide::CHEMBL92906 Adenosine receptor A1 Homo sapiens 600 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039679&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10387069 103946874 CHEMBL92906 ZINC12405647 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062397 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)c1cccc(c1)S(F)(=O)=O InChI=1S/C23H27FN4O6S/c1-3-10-27-20-18(21(29)28(11-4-2)23(27)31)25-19(26-20)14-8-9-16(12-14)34-22(30)15-6-5-7-17(13-15)35(24,32)33/h5-7,13-14,16H,3-4,8-12H2,1-2H3,(H,25,26) MZGBCGAANFHDOD-UHFFFAOYSA-N 50039696 3-Fluorosulfonyl-benzoic acid 3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentyl ester::CHEMBL314539 Adenosine receptor A1 Homo sapiens 80 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039696&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10368912 103946891 CHEMBL314539 ZINC12405665 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062398 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N(CCCl)CCCl InChI=1S/C15H23Cl2N5O2/c1-3-7-21-12-11(13(23)22(8-4-2)15(21)24)18-14(19-12)20(9-5-16)10-6-17/h3-10H2,1-2H3,(H,18,19) YEAYMUNSZGXOSO-UHFFFAOYSA-N 50039702 8-[Bis-(2-chloro-ethyl)-amino]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL90024 Adenosine receptor A1 Homo sapiens 90 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039702&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10022380 103946897 CHEMBL90024 ZINC12405641 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50062400 CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26) XJLGXHIRSHTRPQ-UHFFFAOYSA-N 50039676 4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester::4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester(FSCPX)::CHEMBL327708 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1021/jm00043a010 10.7270/Q24748X6 8064798 Scammells, PJ; Baker, SP; Belardinelli, L; Olsson, RA University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039676&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 133012 103946871 CHEMBL327708 ZINC08034243 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50070673 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C29H30F3N5O4/c1-3-12-37-24-17-23(33-26(24)27(39)34(2)28(37)40)19-4-10-22(11-5-19)41-18-25(38)36-15-13-35(14-16-36)21-8-6-20(7-9-21)29(30,31)32/h4-11,17,33H,3,12-16,18H2,1-2H3 PJWUUDRQACIYIH-UHFFFAOYSA-N 50375411 CHEMBL412112 Adenosine receptor A1 Homo sapiens 89 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375411&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44451127 160854501 CHEMBL412112 ZINC29058879 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50070674 COc1cc(OCC(=O)N2CCN(CC2)c2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C27H29N5O5/c1-29-22-16-21(28-25(22)26(34)30(2)27(29)35)20-10-9-19(15-23(20)36-3)37-17-24(33)32-13-11-31(12-14-32)18-7-5-4-6-8-18/h4-10,15-16,28H,11-14,17H2,1-3H3 CSSFLQDIZXHZCC-UHFFFAOYSA-N 50003221 CHEMBL428605 Adenosine receptor A1 Homo sapiens 537 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44451482 103917201 CHEMBL428605 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50070676 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 InChI=1S/C25H24N4O4/c1-27-21-13-20(26-23(21)24(31)28(2)25(27)32)17-7-9-19(10-8-17)33-15-22(30)29-12-11-16-5-3-4-6-18(16)14-29/h3-10,13,26H,11-12,14-15H2,1-2H3 XICBEZUAIRPALD-UHFFFAOYSA-N 50003211 CHEMBL259105 Adenosine receptor A1 Homo sapiens 363 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003211&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44450829 103917191 CHEMBL259105 ZINC27215530 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50070711 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)cc1 InChI=1S/C35H36N4O4/c1-3-20-39-30-23-29(36-32(30)33(41)37(2)34(39)42)25-14-16-28(17-15-25)43-24-31(40)38-21-18-35(19-22-38,26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,23,36H,3,18-22,24H2,1-2H3 NHADJLJUOVTRKS-UHFFFAOYSA-N 50375412 CHEMBL294223 Adenosine receptor A1 Homo sapiens 676 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375412&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44450982 160854502 CHEMBL294223 ZINC29058120 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50070712 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C26H27N5O4/c1-28-22-16-21(27-24(22)25(33)29(2)26(28)34)18-8-10-20(11-9-18)35-17-23(32)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11,16,27H,12-15,17H2,1-2H3 YFOHBZPJQXLDMO-UHFFFAOYSA-N 50003120 CHEMBL262332 Adenosine receptor A1 Homo sapiens 501 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003120&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44451283 103917101 CHEMBL262332 ZINC13727695 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50070799 COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C26H26N4O5/c1-28-21-13-20(27-24(21)25(32)29(2)26(28)33)19-9-8-18(12-22(19)34-3)35-15-23(31)30-11-10-16-6-4-5-7-17(16)14-30/h4-9,12-13,27H,10-11,14-15H2,1-3H3 JQQMPNPMWAEDPY-UHFFFAOYSA-N 50003227 CHEMBL410066 Adenosine receptor A1 Homo sapiens 269 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003227&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44451224 103917207 CHEMBL410066 ZINC96178620 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081291 Nc1nc(SCc2csc(n2)-c2ccccc2Cl)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14ClN5O2S2/c23-16-4-2-1-3-14(16)21-26-13(9-31-21)10-32-22-27-19(15(8-24)20(25)28-22)12-5-6-17-18(7-12)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) LCLVYMVXYKMJJX-UHFFFAOYSA-N 50003704 CHEMBL3234958 Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003704&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654619 103917628 CHEMBL3234958 ZINC27429998 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081298 Nc1nc(SCc2csc(n2)-c2ccccc2F)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14FN5O2S2/c23-16-4-2-1-3-14(16)21-26-13(9-31-21)10-32-22-27-19(15(8-24)20(25)28-22)12-5-6-17-18(7-12)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) NTIBITIOFNVHHY-UHFFFAOYSA-N 50003705 CHEMBL3234959 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003705&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654620 103917629 CHEMBL3234959 ZINC27434683 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081324 Nc1nc(SCc2csc(n2)-c2ccc(cc2)C(F)(F)F)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C23H14F3N5O2S2/c24-23(25,26)14-4-1-12(2-5-14)21-29-15(9-34-21)10-35-22-30-19(16(8-27)20(28)31-22)13-3-6-17-18(7-13)33-11-32-17/h1-7,9H,10-11H2,(H2,28,30,31) ZQBIHEDZEQXQCA-UHFFFAOYSA-N 50003706 CHEMBL3234960 Adenosine receptor A1 Homo sapiens 18 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003706&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654621 103917630 CHEMBL3234960 ZINC26183853 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081342 Nc1nc(SCc2csc(n2)-c2ccc(cc2)[N+]([O-])=O)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14N6O4S2/c23-8-16-19(13-3-6-17-18(7-13)32-11-31-17)26-22(27-20(16)24)34-10-14-9-33-21(25-14)12-1-4-15(5-2-12)28(29)30/h1-7,9H,10-11H2,(H2,24,26,27) QPOVLBGWODYSTH-UHFFFAOYSA-N 50003707 CHEMBL3234961 Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003707&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654622 103917631 CHEMBL3234961 ZINC27433650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081390 Nc1nc(SCc2csc(n2)-c2ccccc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H15N5O2S2/c23-9-16-19(14-6-7-17-18(8-14)29-12-28-17)26-22(27-20(16)24)31-11-15-10-30-21(25-15)13-4-2-1-3-5-13/h1-8,10H,11-12H2,(H2,24,26,27) FHXGXMGJPBFGAL-UHFFFAOYSA-N 50003708 CHEMBL3234962 Adenosine receptor A1 Homo sapiens 2.4 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003708&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654623 103917632 CHEMBL3234962 ZINC40496592 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081391 Nc1nc(SCc2csc(n2)C2CCCCC2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H21N5O2S2/c23-9-16-19(14-6-7-17-18(8-14)29-12-28-17)26-22(27-20(16)24)31-11-15-10-30-21(25-15)13-4-2-1-3-5-13/h6-8,10,13H,1-5,11-12H2,(H2,24,26,27) DYEWNRPHBXNQBM-UHFFFAOYSA-N 50003709 CHEMBL3234963 Adenosine receptor A1 Homo sapiens 6.3 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003709&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654624 103917633 CHEMBL3234963 ZINC26253597 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081392 Nc1nc(SCc2csc(n2)N2CCOCC2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C20H18N6O3S2/c21-8-14-17(12-1-2-15-16(7-12)29-11-28-15)24-19(25-18(14)22)30-9-13-10-31-20(23-13)26-3-5-27-6-4-26/h1-2,7,10H,3-6,9,11H2,(H2,22,24,25) YECDAMHUKHGDJA-UHFFFAOYSA-N 50003710 CHEMBL3234964 Adenosine receptor A1 Homo sapiens 1.9 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003710&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654625 103917634 CHEMBL3234964 ZINC27436549 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081393 Nc1nc(SCc2cscn2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C16H11N5O2S2/c17-4-11-14(9-1-2-12-13(3-9)23-8-22-12)20-16(21-15(11)18)25-6-10-5-24-7-19-10/h1-3,5,7H,6,8H2,(H2,18,20,21) FCTUVTSRQRFZMT-UHFFFAOYSA-N 50003621 CHEMBL3234965 Adenosine receptor A1 Homo sapiens 9.7 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003621&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654601 242056435 CHEMBL3234965 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081397 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14ClN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) ULSUMBCZQFKJEK-UHFFFAOYSA-N 50003692 CHEMBL3234945 Adenosine receptor A1 Homo sapiens 4.9 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003692&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654607 103917616 CHEMBL3234945 ZINC27427575 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081398 COc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(n2)-c2ccc3OCOc3c2)cs1 InChI=1S/C23H17N5O3S2/c1-29-16-5-2-13(3-6-16)22-26-15(10-32-22)11-33-23-27-20(17(9-24)21(25)28-23)14-4-7-18-19(8-14)31-12-30-18/h2-8,10H,11-12H2,1H3,(H2,25,27,28) XUZIGYKESUMBEQ-UHFFFAOYSA-N 50003699 CHEMBL3234952 Adenosine receptor A1 Homo sapiens 1.9 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003699&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654614 103917623 CHEMBL3234952 ZINC26186806 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081399 Nc1nc(SCc2csc(n2)-c2ccc(Br)cc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14BrN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) OONFVULEGKOWQT-UHFFFAOYSA-N 50003701 CHEMBL3234954 Adenosine receptor A1 Homo sapiens 4.6 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003701&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654616 103917625 CHEMBL3234954 ZINC95550628 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081400 Nc1nc(SCc2csc(n2)-c2ccc(I)cc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14IN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) JUYJYMJIYNUBGQ-UHFFFAOYSA-N 50003702 CHEMBL3234955 Adenosine receptor A1 Homo sapiens 9.5 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003702&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654617 103917626 CHEMBL3234955 ZINC27431105 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081401 Nc1nc(SCc2csc(n2)-c2ccccc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H15N5O2S2/c23-9-16-19(14-6-7-17-18(8-14)29-12-28-17)26-22(27-20(16)24)31-11-15-10-30-21(25-15)13-4-2-1-3-5-13/h1-8,10H,11-12H2,(H2,24,26,27) FHXGXMGJPBFGAL-UHFFFAOYSA-N 50003708 CHEMBL3234962 Adenosine receptor A1 Homo sapiens 4.6 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003708&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654623 103917632 CHEMBL3234962 ZINC40496592 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081402 Nc1nc(SCc2csc(n2)N2CCOCC2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C20H18N6O3S2/c21-8-14-17(12-1-2-15-16(7-12)29-11-28-15)24-19(25-18(14)22)30-9-13-10-31-20(23-13)26-3-5-27-6-4-26/h1-2,7,10H,3-6,9,11H2,(H2,22,24,25) YECDAMHUKHGDJA-UHFFFAOYSA-N 50003710 CHEMBL3234964 Adenosine receptor A1 Homo sapiens 1.8 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003710&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654625 103917634 CHEMBL3234964 ZINC27436549 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081403 CN(C)c1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N InChI=1S/C23H19ClN6S2/c1-30(2)18-9-5-14(6-10-18)20-19(11-25)21(26)29-23(28-20)32-13-17-12-31-22(27-17)15-3-7-16(24)8-4-15/h3-10,12H,13H2,1-2H3,(H2,26,28,29) HORMQBXNHJVFSC-UHFFFAOYSA-N 50003712 CHEMBL3234943 Adenosine receptor A1 Homo sapiens 233 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003712&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654627 103917636 CHEMBL3234943 ZINC26253400 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081394 Nc1nc(SCc2c[nH]cn2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C16H12N6O2S/c17-4-11-14(9-1-2-12-13(3-9)24-8-23-12)21-16(22-15(11)18)25-6-10-5-19-7-20-10/h1-3,5,7H,6,8H2,(H,19,20)(H2,18,21,22) DLNGSUIVMBTHRC-UHFFFAOYSA-N 50003711 CHEMBL3233035 Adenosine receptor A1 Homo sapiens 83 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003711&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654626 103917635 CHEMBL3233035 ZINC26252275 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081395 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc(OCCO)cc2)c1C#N InChI=1S/C23H18ClN5O2S2/c24-16-5-1-15(2-6-16)22-27-17(12-32-22)13-33-23-28-20(19(11-25)21(26)29-23)14-3-7-18(8-4-14)31-10-9-30/h1-8,12,30H,9-10,13H2,(H2,26,28,29) IPQPODBMVAWBNF-UHFFFAOYSA-N 50003648 CHEMBL3234936 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003648&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654602 242056458 CHEMBL3234936 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081396 CC(=O)Nc1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N InChI=1S/C23H17ClN6OS2/c1-13(31)27-17-8-4-14(5-9-17)20-19(10-25)21(26)30-23(29-20)33-12-18-11-32-22(28-18)15-2-6-16(24)7-3-15/h2-9,11H,12H2,1H3,(H,27,31)(H2,26,29,30) PQSBBFMDPXAVHT-UHFFFAOYSA-N 50003649 CHEMBL3234937 Adenosine receptor A1 Homo sapiens 3.9 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003649&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654603 242056459 CHEMBL3234937 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081155 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31) CITWCLNVRIKQAF-UHFFFAOYSA-N 50003646 CHEMBL3235279 Adenosine receptor A1 Homo sapiens 0.100000 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003646&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9936489 242056456 CHEMBL3235279 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081157 CCN(CC)CCN1CCN(CC1)C(=O)CCc1cccc(CSc2nc(N)c(C#N)c(n2)-c2ccc(NC(C)=O)cc2)n1 InChI=1S/C32H41N9O2S/c1-4-39(5-2)15-16-40-17-19-41(20-18-40)29(43)14-13-25-7-6-8-27(36-25)22-44-32-37-30(28(21-33)31(34)38-32)24-9-11-26(12-10-24)35-23(3)42/h6-12H,4-5,13-20,22H2,1-3H3,(H,35,42)(H2,34,37,38) DMDJTLNTJHFQMG-UHFFFAOYSA-N 50003647 CHEMBL3235280 Adenosine receptor A1 Homo sapiens 1.000000 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003647&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11527363 242056457 CHEMBL3235280 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081158 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc(OCCO)cc2)c1C#N InChI=1S/C23H18ClN5O2S2/c24-16-5-1-15(2-6-16)22-27-17(12-32-22)13-33-23-28-20(19(11-25)21(26)29-23)14-3-7-18(8-4-14)31-10-9-30/h1-8,12,30H,9-10,13H2,(H2,26,28,29) IPQPODBMVAWBNF-UHFFFAOYSA-N 50003648 CHEMBL3234936 Adenosine receptor A1 Homo sapiens 4.8 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003648&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654602 242056458 CHEMBL3234936 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081159 CC(=O)Nc1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N InChI=1S/C23H17ClN6OS2/c1-13(31)27-17-8-4-14(5-9-17)20-19(10-25)21(26)30-23(29-20)33-12-18-11-32-22(28-18)15-2-6-16(24)7-3-15/h2-9,11H,12H2,1H3,(H,27,31)(H2,26,29,30) PQSBBFMDPXAVHT-UHFFFAOYSA-N 50003649 CHEMBL3234937 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003649&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654603 242056459 CHEMBL3234937 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081160 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccccc2)c1C#N InChI=1S/C21H14ClN5S2/c22-15-8-6-14(7-9-15)20-25-16(11-28-20)12-29-21-26-18(13-4-2-1-3-5-13)17(10-23)19(24)27-21/h1-9,11H,12H2,(H2,24,26,27) IJUMECKSYHOQFE-UHFFFAOYSA-N 50003650 CHEMBL3234938 Adenosine receptor A1 Homo sapiens 8.9 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003650&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654604 242056460 CHEMBL3234938 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081161 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc(O)cc2)c1C#N InChI=1S/C21H14ClN5OS2/c22-14-5-1-13(2-6-14)20-25-15(10-29-20)11-30-21-26-18(17(9-23)19(24)27-21)12-3-7-16(28)8-4-12/h1-8,10,28H,11H2,(H2,24,26,27) RXRFHSOBEHUUPR-UHFFFAOYSA-N 50003689 CHEMBL3234940 Adenosine receptor A1 Homo sapiens 15 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003689&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654605 103917613 CHEMBL3234940 ZINC27436853 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081162 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc(OC(F)(F)F)cc2)c1C#N InChI=1S/C22H13ClF3N5OS2/c23-14-5-1-13(2-6-14)20-29-15(10-33-20)11-34-21-30-18(17(9-27)19(28)31-21)12-3-7-16(8-4-12)32-22(24,25)26/h1-8,10H,11H2,(H2,28,30,31) HEXUMOHREKBWGB-UHFFFAOYSA-N 50003690 CHEMBL3234942 Adenosine receptor A1 Homo sapiens 185 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003690&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654606 103917614 CHEMBL3234942 ZINC27443093 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081163 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14ClN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) ULSUMBCZQFKJEK-UHFFFAOYSA-N 50003692 CHEMBL3234945 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003692&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654607 103917616 CHEMBL3234945 ZINC27427575 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081164 Nc1nc(SCc2coc(n2)-c2ccc(Cl)cc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14ClN5O3S/c23-14-4-1-12(2-5-14)21-26-15(9-29-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)31-11-30-17/h1-7,9H,10-11H2,(H2,25,27,28) GBVJIWBACYXUBT-UHFFFAOYSA-N 50003693 CHEMBL3234946 Adenosine receptor A1 Homo sapiens 15 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003693&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654608 103917617 CHEMBL3234946 ZINC95611271 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081165 Nc1nc(SCc2coc(n2)-c2ccc(F)cc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14FN5O3S/c23-14-4-1-12(2-5-14)21-26-15(9-29-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)31-11-30-17/h1-7,9H,10-11H2,(H2,25,27,28) QUOSSFQIJVMBQO-UHFFFAOYSA-N 50003694 CHEMBL3234947 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003694&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654609 103917618 CHEMBL3234947 ZINC13729616 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081166 Nc1nc(SCc2coc(n2)-c2cccc(F)c2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14FN5O3S/c23-14-3-1-2-13(6-14)21-26-15(9-29-21)10-32-22-27-19(16(8-24)20(25)28-22)12-4-5-17-18(7-12)31-11-30-17/h1-7,9H,10-11H2,(H2,25,27,28) GXMONYINFPHCOF-UHFFFAOYSA-N 50003695 CHEMBL3234948 Adenosine receptor A1 Homo sapiens 15 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003695&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654610 103917619 CHEMBL3234948 ZINC27429559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081167 Nc1nc(SCc2csc(n2)-c2ccc(F)cc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14FN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) WOJVFPLESPBWFH-UHFFFAOYSA-N 50003696 CHEMBL3234949 Adenosine receptor A1 Homo sapiens 6.7 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003696&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654611 103917620 CHEMBL3234949 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081168 Nc1nc(SCc2csc(n2)-c2cccc(F)c2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14FN5O2S2/c23-14-3-1-2-13(6-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)12-4-5-17-18(7-12)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) PJBPVCWQYMTLMO-UHFFFAOYSA-N 50003697 CHEMBL3234950 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003697&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654612 103917621 CHEMBL3234950 ZINC95542464 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081169 Cc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(n2)-c2ccc3OCOc3c2)cs1 InChI=1S/C23H17N5O2S2/c1-13-2-4-14(5-3-13)22-26-16(10-31-22)11-32-23-27-20(17(9-24)21(25)28-23)15-6-7-18-19(8-15)30-12-29-18/h2-8,10H,11-12H2,1H3,(H2,25,27,28) QDTBMOAPCLYBMN-UHFFFAOYSA-N 50003698 CHEMBL3234951 Adenosine receptor A1 Homo sapiens 3.1 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003698&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654613 103917622 CHEMBL3234951 ZINC95549269 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081170 COc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(n2)-c2ccc3OCOc3c2)cs1 InChI=1S/C23H17N5O3S2/c1-29-16-5-2-13(3-6-16)22-26-15(10-32-22)11-33-23-27-20(17(9-24)21(25)28-23)14-4-7-18-19(8-14)31-12-30-18/h2-8,10H,11-12H2,1H3,(H2,25,27,28) XUZIGYKESUMBEQ-UHFFFAOYSA-N 50003699 CHEMBL3234952 Adenosine receptor A1 Homo sapiens 1.8 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003699&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654614 103917623 CHEMBL3234952 ZINC26186806 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081171 Nc1nc(SCc2csc(n2)-c2ccc3OCOc3c2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C23H15N5O4S2/c24-7-15-20(12-1-3-16-18(5-12)31-10-29-16)27-23(28-21(15)25)34-9-14-8-33-22(26-14)13-2-4-17-19(6-13)32-11-30-17/h1-6,8H,9-11H2,(H2,25,27,28) HOUBCWAHGZVHCO-UHFFFAOYSA-N 50003700 CHEMBL3234953 Adenosine receptor A1 Homo sapiens 2.5 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003700&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654615 103917624 CHEMBL3234953 ZINC13729607 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081172 Nc1nc(SCc2csc(n2)-c2ccc(Br)cc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14BrN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) OONFVULEGKOWQT-UHFFFAOYSA-N 50003701 CHEMBL3234954 Adenosine receptor A1 Homo sapiens 5.2 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003701&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654616 103917625 CHEMBL3234954 ZINC95550628 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081173 Nc1nc(SCc2csc(n2)-c2ccc(I)cc2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14IN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) JUYJYMJIYNUBGQ-UHFFFAOYSA-N 50003702 CHEMBL3234955 Adenosine receptor A1 Homo sapiens 9.9 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003702&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654617 103917626 CHEMBL3234955 ZINC27431105 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50081174 Nc1nc(SCc2csc(n2)-c2cccc(Cl)c2)nc(-c2ccc3OCOc3c2)c1C#N InChI=1S/C22H14ClN5O2S2/c23-14-3-1-2-13(6-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)12-4-5-17-18(7-12)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28) MFWOZRUYVVTNAK-UHFFFAOYSA-N 50003703 CHEMBL3234956 Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003703&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90654618 103917627 CHEMBL3234956 ZINC27434122 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091094 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine Adenosine receptor A1 Homo sapiens 44900 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10849&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search CFF 6JRS,1GFZ,3DDW,3DDS,3DD1,6TV4,6JIU,6JIY,6JII,6JI0,7M6L,7M6A,1C8L,6JHN,4Y4D,7D7K,7D7L,1L7X,6M2W,7PBB,1L5Q,6QTL,5T9V,6SF9,6ICN,6ICP,5TAL,5TAT,5TAU,5TAP,3RFM,3G6M,6JRR,5TAM,5TAN,5TAV,5TAQ,2A3B,7TZC,5MZP,6UG4,5TAS,5TA3 2519 46511425 27732 CHEMBL113 DB00201 407 C07481 ZINC00001084 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091095 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ IQVRBWUUXZMOPW-PKNBQFBNSA-N 50176050 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione::8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione::CHEMBL431770::istradefylline Adenosine receptor A1 Homo sapiens 2830 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176050&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search JQ9 8GNG 5311037 104061724 CHEMBL431770 5608 ZINC03803921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091096 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A1 Homo sapiens 549 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091097 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A1 Homo sapiens 255 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091098 Cc1ccc2cc(CCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)ccc2n1 InChI=1S/C22H18N8O/c1-13-4-6-15-11-14(5-7-17(15)25-13)8-9-29-20-16(12-24-29)21-26-19(18-3-2-10-31-18)28-30(21)22(23)27-20/h2-7,10-12H,8-9H2,1H3,(H2,23,27) FCSLYUBEYDUDTP-UHFFFAOYSA-N 50252113 2-Furan-2-yl-7-[2-(2-methyl-quinolin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL520782 Adenosine receptor A1 Homo sapiens 406 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252113&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24894065 104105086 CHEMBL520782 ZINC11689564 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091099 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) DTYWJKSSUANMHD-UHFFFAOYSA-N 50202986 2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL240624::SCH-420814::US11440916, Preladenant::US11472811, Example Preladenant::preladenant Adenosine receptor A1 Homo sapiens >996 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10117987 104082355 CHEMBL240624 5614 ZINC53006885 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091100 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) DTYWJKSSUANMHD-UHFFFAOYSA-N 50202986 2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL240624::SCH-420814::US11440916, Preladenant::US11472811, Example Preladenant::preladenant Adenosine receptor A1 Homo sapiens 1474 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10117987 104082355 CHEMBL240624 5614 ZINC53006885 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091101 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-17-27-21-23(33)29-25(26)34-24(21)28-22(30-34)20-3-2-14-37-20/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) XKKWPFKDCSUYBS-UHFFFAOYSA-N 50202773 8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL395472 Adenosine receptor A1 Homo sapiens 602 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202773&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10278807 104082158 CHEMBL395472 ZINC53188748 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091102 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccn2)CC1 InChI=1S/C26H30N10O2/c1-37-16-17-38-20-7-5-19(6-8-20)34-13-10-33(11-14-34)12-15-35-18-29-22-24(35)31-26(27)36-25(22)30-23(32-36)21-4-2-3-9-28-21/h2-9,18H,10-17H2,1H3,(H2,27,31) QWAQFKPHWVBFHJ-UHFFFAOYSA-N 50202770 3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-8-(pyridin-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246675 Adenosine receptor A1 Homo sapiens 1361 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202770&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10118562 104082155 CHEMBL246675 ZINC28877595 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091103 Cc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 InChI=1S/C21H21N9O/c1-13-9-14-12-28(5-4-16(14)23-10-13)6-7-29-19-15(11-24-29)20-25-18(17-3-2-8-31-17)27-30(20)21(22)26-19/h2-3,8-11H,4-7,12H2,1H3,(H2,22,26) VKHRKRHXPXOULC-UHFFFAOYSA-N 50242873 2-Furan-2-yl-7-[2-(3-methyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL513364 Adenosine receptor A1 Homo sapiens 358 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242873&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10287779 104099292 CHEMBL513364 ZINC38460221 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091104 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cccc(c1)C#N InChI=1S/C25H25F2N9/c1-33(7-8-34-9-11-35(12-10-34)21-6-5-19(26)14-20(21)27)22-15-23-30-24(32-36(23)25(29)31-22)18-4-2-3-17(13-18)16-28/h2-6,13-15H,7-12H2,1H3,(H2,29,31) ZPTQAAHWOAPCNM-UHFFFAOYSA-N 50256417 3-(5-amino-7-((2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)(methyl)amino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzonitrile::CHEMBL482329 Adenosine receptor A1 Homo sapiens 1116 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256417&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 20770622 104107906 CHEMBL482329 ZINC40934349 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091105 CN(C)CCn1ncc2c3nn(Cc4cccc(Cl)c4)c(=O)n3c(N)nc12 InChI=1S/C17H19ClN8O/c1-23(2)6-7-24-14-13(9-20-24)15-22-25(17(27)26(15)16(19)21-14)10-11-4-3-5-12(18)8-11/h3-5,8-9H,6-7,10H2,1-2H3,(H2,19,21) UFERNMHJXPYDCW-UHFFFAOYSA-N 50340049 5-amino-2-(3-chlorobenzyl)-7-(2-(dimethylamino)ethyl)-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762513 Adenosine receptor A1 Homo sapiens 1398 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340049&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44218327 131342985 CHEMBL1762513 ZINC71316029 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091106 Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 InChI=1S/C19H21ClN8O2/c20-14-3-1-2-13(10-14)12-27-19(29)28-17(24-27)15-11-22-26(16(15)23-18(28)21)5-4-25-6-8-30-9-7-25/h1-3,10-11H,4-9,12H2,(H2,21,23) DTONIABUVXDYLV-UHFFFAOYSA-N 50340047 5-amino-2-(3-chlorobenzyl)-7-(2-morpholinoethyl)-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762515 Adenosine receptor A1 Homo sapiens 1405 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340047&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44217536 131342983 CHEMBL1762515 ZINC71329582 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091107 COc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccnc(c3)N3CCOCC3)nc12 InChI=1S/C23H26N4O5/c1-29-18-3-2-17(15-5-10-30-11-6-15)21-20(18)25-23(32-21)26-22(28)16-4-7-24-19(14-16)27-8-12-31-13-9-27/h2-4,7,14-15H,5-6,8-13H2,1H3,(H,25,26,28) FFSZJFKBYPFJNE-UHFFFAOYSA-N 50011292 CHEMBL3260725 Adenosine receptor A1 Homo sapiens 8775 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011292&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22252243 242057798 CHEMBL3260725 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091108 COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12 InChI=1S/C18H17FN4O3S/c1-25-13-10-20-16(23-6-8-26-9-7-23)15-14(13)21-18(27-15)22-17(24)11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3,(H,21,22,24) IVSNRJJOEPNTNL-UHFFFAOYSA-N 50011293 CHEMBL3260726 Adenosine receptor A1 Homo sapiens 2100 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011293&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11596214 242057799 CHEMBL3260726 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091109 COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12 InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24) XNBRWUQWSKXMPW-UHFFFAOYSA-N 50011294 A2A::Ro-4494351::Ro-4494351-002::Ro-4494351000::SYN-115::TOZADENANT Adenosine receptor A1 Homo sapiens 1350 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011294&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9XW 5OLO 11618368 242057800 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091110 O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 XEEQGYMUWCZPDN-SWLSCSKDSA-N 50377446 (S,R)-MEFLOQUINE Adenosine receptor A1 Homo sapiens 244 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377446&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search YMZ 7DIA,8F51,5UMD,5ZNI 456309 160856529 63684 C07633 ZINC00897089 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091111 CC(C)c1nc(-c2nccs2)c2sccc2n1 InChI=1S/C12H11N3S2/c1-7(2)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12/h3-7H,1-2H3 BCGFASHRDSXLNN-UHFFFAOYSA-N 50238959 2-isopropyl-4-(thiazol-2-yl)thieno[3,2-d]pyrimidine::CHEMBL407307 Adenosine receptor A1 Homo sapiens 207 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50238959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50238959&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9860013 104056497 CHEMBL407307 ZINC13982501 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091112 Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1 InChI=1S/C17H14N6O2/c18-16-21-13(12-7-4-8-25-12)14-15(22-16)23(10-20-14)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22) HOIUTDBGOMHLBQ-UHFFFAOYSA-N 50239036 2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide::CHEMBL261203 Adenosine receptor A1 Homo sapiens 17 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239036&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9949541 104056500 CHEMBL261203 ZINC00003638 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091113 Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1 InChI=1S/C15H12N6O3/c16-14-19-11(10-4-2-6-24-10)12-13(20-14)21(8-18-12)15(22)17-7-9-3-1-5-23-9/h1-6,8H,7H2,(H,17,22)(H2,16,19,20) WTMAGSBNGPVFQV-UHFFFAOYSA-N 50377559 CHEMBL259832 Adenosine receptor A1 Homo sapiens 170 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377559&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9923269 160856642 CHEMBL259832 ZINC29047750 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091114 Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20) HQSBCDPYXDGTCL-UHFFFAOYSA-N 50254013 3-(4-Amino-3-methylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL447664 Adenosine receptor A1 Homo sapiens 68 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254013&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9XT 5OLH 21874557 104106404 CHEMBL447664 ZINC40863182 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091115 COCc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 InChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22) MNNAJXPKIBKJNB-UHFFFAOYSA-N 50294501 2-amino-6-(furan-2-yl)-N-((6-(methoxymethyl)pyridin-2-yl)methyl)pyrimidine-4-carboxamide::CHEMBL564473 Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294501&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11739282 104136032 CHEMBL564473 ZINC36377722 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091116 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1 InChI=1S/C17H17N5O2/c1-10-4-3-5-12(20-10)9-19-16(23)14-8-13(21-17(18)22-14)15-7-6-11(2)24-15/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22) JWJMIQCWBFWBLV-UHFFFAOYSA-N 35829 pyrimidine-4-carboxamide, 111 Adenosine receptor A1 Homo sapiens 133 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35829&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44520976 85856622 ZINC45387310 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091117 Nc1nnc(-c2ccccc2)c(n1)-c1ccccc1 InChI=1S/C15H12N4/c16-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,19) NZRHOWNFGASHMN-UHFFFAOYSA-N 50382487 CHEMBL1370747 Adenosine receptor A1 Homo sapiens 270 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382487&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 78268 160861570 CHEMBL1370747 ZINC00105284 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091118 Cc1cc(cc(n1)C(F)(F)F)-c1nnc(N)nc1-c1ccccc1 InChI=1S/C16H12F3N5/c1-9-7-11(8-12(21-9)16(17,18)19)14-13(22-15(20)24-23-14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,20,22,24) NDFNRBWLVZWETQ-UHFFFAOYSA-N 50382498 CHEMBL2024119::US10988455, Example 1(ccix) Adenosine receptor A1 Homo sapiens 31 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382498&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56964225 160861581 CHEMBL2024119 ZINC84602048 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091119 CC1(C)CCCN(C1)c1nnc(N)nc1-c1ccccc1 InChI=1S/C16H21N5/c1-16(2)9-6-10-21(11-16)14-13(18-15(17)20-19-14)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H2,17,18,20) QRDFCTALHLWPRP-UHFFFAOYSA-N 50011295 CHEMBL3260727::US10988455, Example 2(vi) Adenosine receptor A1 Homo sapiens 10000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011295&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53354728 242057801 CHEMBL3260727 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091120 CC1CN(CC(C)O1)c1nnc(N)nc1-c1ccccc1 InChI=1S/C15H19N5O/c1-10-8-20(9-11(2)21-10)14-13(17-15(16)19-18-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,19) FHMBLRWJWFTBHM-UHFFFAOYSA-N 50011296 CHEMBL3260728::US10988455, Example 2(iv) Adenosine receptor A1 Homo sapiens 10000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011296&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53354627 242057802 CHEMBL3260728 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091121 CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17) CYYQMAWUIRPCNW-UHFFFAOYSA-N 50176058 2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine::2-butyl-9-methyl-8-(2H-1,2,3-triazol-2-yl)-9H-purin-6-amine::CHEMBL197669::ST-1535 Adenosine receptor A1 Homo sapiens 79 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176058&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9860294 104061732 CHEMBL197669 5613 ZINC01554291 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091122 CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17) HMSFWLUZEDMXMM-UHFFFAOYSA-N 50011300 CHEMBL2398482::US9133197, 2 Adenosine receptor A1 Homo sapiens 24 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011300&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 66678431 242057806 CHEMBL2398482 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091123 CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17) PLXYHOBIHWLDSZ-UHFFFAOYSA-N 50011301 CHEMBL2398486::US9133197, 7 Adenosine receptor A1 Homo sapiens 192 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011301&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46912314 242057807 CHEMBL2398486 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091124 CC(C)n1cc(ccc1=O)-c1ncc(N)nc1-c1ccc(F)cc1 InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22) MNUJNGGYFNZUNB-UHFFFAOYSA-N 50394715 CHEMBL2165804 Adenosine receptor A1 Homo sapiens 9.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394715&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24810000 163343739 CHEMBL2165804 ZINC43175840 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091125 CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) YBZHQFAVAQZLFB-UHFFFAOYSA-N 50232154 CHEMBL401321::N-(2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide::N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232154&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11380183 104055428 CHEMBL401321 ZINC28966064 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091126 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1 InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28) WVDKULPCDHAQIA-UHFFFAOYSA-N 21188 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 40 Adenosine receptor A1 Homo sapiens 1998 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21188&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768413 49689261 ZINC23360548 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091127 CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C25H28N6O3/c1-16-11-17(2)31(29-16)23-13-22(27-25(28-23)21-10-9-18(3)34-21)26-24(32)15-33-20-8-6-7-19(12-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) IGEDPAQDLDJKOH-UHFFFAOYSA-N 50237064 CHEMBL401895::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 40 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237064&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16654984 104056378 CHEMBL401895 ZINC29041664 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091128 COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30) JENSDTKXNVHSSN-UHFFFAOYSA-N 26256 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16j Adenosine receptor A1 Homo sapiens 77 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26256&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25074316 56464693 ZINC43200326 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091177 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1 InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18) KHOCZGQEVMEBSV-UHFFFAOYSA-N 50317007 2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095999 Adenosine receptor A1 Homo sapiens 0.400000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317007&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10445452 104151368 CHEMBL1095999 ZINC13982068 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091178 Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25) NZMLWAPHUUXPMQ-UHFFFAOYSA-N 50330987 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one dihydrochloride::CHEMBL1087189 Adenosine receptor A1 Homo sapiens 17 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330987&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46863665 123110102 CHEMBL1087189 ZINC49052919 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091179 Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26) BCDASHXLAMCATI-UHFFFAOYSA-N 50316887 2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095488 Adenosine receptor A1 Homo sapiens 48 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316887&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25268841 104151248 CHEMBL1095488 ZINC43204862 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091180 Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H23N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-30-13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27) DSTDWPJEOBCICR-UHFFFAOYSA-N 50316894 2-amino-8-(2-morpholinoethylamino)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095172 Adenosine receptor A1 Homo sapiens 33 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316894&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861780 104151255 CHEMBL1095172 ZINC49071334 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091181 Nc1nc(nc2sc(CN3CCOCC3)cc12)-c1ccco1 InChI=1S/C15H16N4O2S/c16-13-11-8-10(9-19-3-6-20-7-4-19)22-15(11)18-14(17-13)12-2-1-5-21-12/h1-2,5,8H,3-4,6-7,9H2,(H2,16,17,18) WKCYYQAUFYIEID-UHFFFAOYSA-N 50011302 CHEMBL3222055 Adenosine receptor A1 Homo sapiens 1680 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011302&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45279725 242057808 CHEMBL3222055 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091182 Nc1nc(nc2sc(CN3CCCC(F)(F)C3)cc12)-c1ccco1 InChI=1S/C16H16F2N4OS/c17-16(18)4-2-5-22(9-16)8-10-7-11-13(19)20-14(21-15(11)24-10)12-3-1-6-23-12/h1,3,6-7H,2,4-5,8-9H2,(H2,19,20,21) KYXCXHCFXDUHNI-UHFFFAOYSA-N 50011303 CHEMBL3222061 Adenosine receptor A1 Homo sapiens 290 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011303&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45278533 242057809 CHEMBL3222061 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091183 C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(nc2s1)-c1ccco1 InChI=1S/C18H22N4OS/c1-11-5-3-6-12(2)22(11)10-13-9-14-16(19)20-17(21-18(14)24-13)15-7-4-8-23-15/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H2,19,20,21)/t11-,12+ PVOIMUIDWFQGQH-TXEJJXNPSA-N 50011304 CHEMBL3222062 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011304&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45279727 242057810 CHEMBL3222062 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091225 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 BIXYYZIIJIXVFW-UUOKFMHZSA-N 50009525 2-CI Adenosine::2-Chloroadenosine::2-Chloroado::2-[6-Amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL285819 Adenosine receptor A1 Homo sapiens 1.4 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009525&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 8974 103922536 CHEMBL285819 ZINC26576183 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091228 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091233 CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25?,26?/m0/s1 UYYUHWSVKOGLPA-ZCCOPBOASA-N 50009263 (2S,3S,4R,5R)-5-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::CHEMBL75416::tert-butyl 1-[3-(1-amino-2-benzyloxycarbamoylethylcarboxamido)-2-hydroxy-4-phenylbutyl]tetrahydro-1H-2-pyrrolecarboxylate Adenosine receptor A1 Homo sapiens 60 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009263&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44314211 103922319 CHEMBL75416 ZINC28759913 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091234 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A1 Homo sapiens 290 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091236 Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1 FLKLBEIFDXKPBA-XNIJJKJLSA-N 50364045 CHEMBL1950554 Adenosine receptor A1 Homo sapiens 48000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364045&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56618357 136968107 CHEMBL1950554 ZINC03932652 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091237 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1 FLEVIENZILQUKB-XTWQNQIISA-N 50364063 CHEMBL1950649 Adenosine receptor A1 Homo sapiens 77 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364063&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9805430 136968125 CHEMBL1950649 ZINC03966397 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091243 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1 LZPZPHGJDAGEJZ-AKAIJSEGSA-N 50119132 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide::CHEMBL317052::REGADENOSON Adenosine receptor A1 Homo sapiens 3770 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119132&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 219024 104012380 CHEMBL317052 DB06213 5596 ZINC13818943 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091244 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 FLBKPDIBGNWXMT-NIQZGXKPSA-N 50150766 (2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-[6-Amino-2-((S)-1-hydroxymethyl-2-phenyl-ethylamino)-purin-9-yl]-5-(2-ethyl-2H-tetrazol-5-yl)-tetrahydro-furan-3,4-diol::CHEMBL186113::GW-328267 Adenosine receptor A1 Homo sapiens 369 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50150766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50150766&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9869857 104039125 CHEMBL186113 ZINC03951024 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091245 Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1 WUCQGGOGHZRELS-LSCFUAHRSA-N 50364043 CHEMBL1950553 Adenosine receptor A1 Homo sapiens 10000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364043&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9910098 136968105 CHEMBL1950553 ZINC03966398 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50091247 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 14487 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenine-beta-D-arabinofuranoside::Adenosine::CHEMBL477::N6-Methylado::[U-14C]adenosine::cid_191::cid_60961 Adenosine receptor A1 Homo sapiens 310 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14487&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ADN 4LCA,4LC4,3KW2,4IMA,1FMO,6RVZ,7R39,4JKU,4JKS,1Q97,1PG2,2GL0,6FBO,6FBP,4D9H,4O0W,4O0U,4O0S,4PGF,7LD3,5M5K,1XWF,4LBX,4LBG,3REQ,7DCW,6D9H,3UQ6,3F8W,1PK7,5B6I,5US8,7T6F,4CKJ,4CKI,4PFJ,1DGM,1N3Z,4OGR,5M66,4LVC,1WU8,3G1U,1VHW,2EVA,1MRJ,1MRG,1BX4,2C49,8AXZ,4PEV,2A8T,2X1L,3N58,4IP7,2W03,1RMT,2FQY,1LII,1LIK,4PD9,5TDM,6EXI,7O5L,6BQ4,5LW1,5XOO,5KB6,5KB5,3OND,2X0P,2YDO,4ZME,7O5M,3WDM,5TDZ,6SHU,3UBO,7ZD9,5UTU,3QGZ,8HDP,5MVS,2ZBV,2ZBU,8BZV,7LD4,6Y9U,6SO9,5AXA,7BF3,3U40,3UAY,3UAW,8EWY,2JC9,6FEK,5TOW,1YI4,2B82,6F3M,6F3N,4DC3,5A1I,5KM9,5LVN,3GRV,2KQD,2KQE,1MUO,2AC7,2PKM,4K87,4K8P,4K8T,4K8C,4K8K,4X3M,3AY0,6BNI,6WKS,6J5Z,6GBN,1Z37,5HJI,7ZD8,7ZD7,7ZD4,7ZD3,7ZD2,7ZD1,7ZD0,3O1X,3O1C,7F7C,1JDV,1JG2,3VAQ,6NRZ,4K9C,4K9I,4K93,4KBE,3AXZ,2ZGW,7MXC,3O0Q,3H9U,4E3A,5HM8,3OI8,4KTV,3VAS,1ODI,3FUU,2OA1,4XDR,4O8J,7F7D,2DOJ,6APH,1V8B,1D4F,5AQF,5UVM,6UK3,2EJG,2EJF,2B8J,3CE6,5V96,5AQY,6TTP,3QWU,2Q6K,6HXS,1UAY,4UCI,1JG3,4H2F,4H2G,6FCD,6P9V,2PGF,4DTA,4DT8,3ZTV,4KAH,4KAL,4KAN,4KAD,4XJ7,6YMJ,4N09,2Q83,1HO5,7P7F 60961 172097241 16335 CHEMBL477 DB00640 C00212 ZINC02169830 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50089405 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A1 Homo sapiens 4.5 ChEMBL 10.1021/jm960482i 10.7270/Q2FQ9VQ2 8863790 Kim, YC; Ji, XD; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50097778 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22) PJBFVWGQFLYWCB-UHFFFAOYSA-N 50003019 8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL52333::KW-3902 Adenosine receptor A1 Homo sapiens 0.72 ChEMBL 10.1021/jm970013w 10.7270/Q28K786M 9191953 Pfister, JR; Belardinelli, L; Lee, G; Lum, RT; Milner, P; Stanley, WC; Linden, J; Baker, SP; Schreiner, G CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003019&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 64627 103917051 CHEMBL52333 DB05360 ZINC18207215 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50097783 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 2.93 ChEMBL 10.1021/jm970013w 10.7270/Q28K786M 9191953 Pfister, JR; Belardinelli, L; Lee, G; Lum, RT; Milner, P; Stanley, WC; Linden, J; Baker, SP; Schreiner, G CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50097790 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21 InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20) OQCJPFYWFGUHIN-UHFFFAOYSA-N 50058235 8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL298474 Adenosine receptor A1 Homo sapiens 2.56 ChEMBL 10.1021/jm970013w 10.7270/Q28K786M 9191953 Pfister, JR; Belardinelli, L; Lee, G; Lum, RT; Milner, P; Stanley, WC; Linden, J; Baker, SP; Schreiner, G CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50058235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50058235&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9798222 103954212 CHEMBL298474 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50105167 Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3ccccc23)c1Cl InChI=1S/C20H22ClN5O2/c1-24-17-6-4-3-5-14(17)16(11-18(24)27)23-13-7-9-26(10-8-13)20(28)15-12-22-25(2)19(15)21/h3-6,11-13,23H,7-10H2,1-2H3 OTFKACWWNOIMJP-UHFFFAOYSA-N 50019514 CHEMBL3290772 Adenosine receptor A1 Homo sapiens 8000 ChEMBL 10.1021/jm5005978 10.7270/Q25Q4XNM 24871036 Naik, M; Humnabadkar, V; Tantry, SJ; Panda, M; Narayan, A; Guptha, S; Panduga, V; Manjrekar, P; Jena, LK; Koushik, K; Shanbhag, G; Jatheendranath, S; Manjunatha, MR; Gorai, G; Bathula, C; Rudrapatna, S; Achar, V; Sharma, S; Ambady, A; Hegde, N; Mahadevaswamy, J; Kaur, P; Sambandamurthy, VK; Awasthy, D; Narayan, C; Ravishankar, S; Madhavapeddi, P; Reddy, J; Prabhakar, K; Saralaya, R; Chatterji, M; Whiteaker, J; McLaughlin, B; Chiarelli, LR; Riccardi, G; Pasca, MR; Binda, C; Neres, J; Dhar, N; Signorino-Gelo, F; McKinney, JD; Ramachandran, V; Shandil, R; Tommasi, R; Iyer, PS; Narayanan, S; Hosagrahara, V; Kavanagh, S; Dinesh, N; Ghorpade, SR AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50019514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50019514&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90644464 103930462 CHEMBL3290772 ZINC26188591 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50105168 Cc1onc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3cc(F)c(F)cc23)c1C InChI=1S/C21H22F2N4O3/c1-11-12(2)30-25-20(11)21(29)27-6-4-13(5-7-27)24-17-10-19(28)26(3)18-9-16(23)15(22)8-14(17)18/h8-10,13,24H,4-7H2,1-3H3 ZZSJCLWKYHHLOZ-UHFFFAOYSA-N 50019519 CHEMBL3291056 Adenosine receptor A1 Homo sapiens 8000 ChEMBL 10.1021/jm5005978 10.7270/Q25Q4XNM 24871036 Naik, M; Humnabadkar, V; Tantry, SJ; Panda, M; Narayan, A; Guptha, S; Panduga, V; Manjrekar, P; Jena, LK; Koushik, K; Shanbhag, G; Jatheendranath, S; Manjunatha, MR; Gorai, G; Bathula, C; Rudrapatna, S; Achar, V; Sharma, S; Ambady, A; Hegde, N; Mahadevaswamy, J; Kaur, P; Sambandamurthy, VK; Awasthy, D; Narayan, C; Ravishankar, S; Madhavapeddi, P; Reddy, J; Prabhakar, K; Saralaya, R; Chatterji, M; Whiteaker, J; McLaughlin, B; Chiarelli, LR; Riccardi, G; Pasca, MR; Binda, C; Neres, J; Dhar, N; Signorino-Gelo, F; McKinney, JD; Ramachandran, V; Shandil, R; Tommasi, R; Iyer, PS; Narayanan, S; Hosagrahara, V; Kavanagh, S; Dinesh, N; Ghorpade, SR AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50019519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50019519&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90644469 103930467 CHEMBL3291056 ZINC26256377 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50105169 Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2cc(=O)n(C)c3cc(F)c(F)cc23)c1C InChI=1S/C23H24F2N4O3/c1-11-12(2)32-27-22(11)23(31)29-14-4-5-15(29)7-13(6-14)26-19-10-21(30)28(3)20-9-18(25)17(24)8-16(19)20/h8-10,13-15,26H,4-7H2,1-3H3/t13-,14+,15- GDDXUDHMUFTXTL-QDMKHBRRSA-N 50019515 CHEMBL3291062 Adenosine receptor A1 Homo sapiens 8000 ChEMBL 10.1021/jm5005978 10.7270/Q25Q4XNM 24871036 Naik, M; Humnabadkar, V; Tantry, SJ; Panda, M; Narayan, A; Guptha, S; Panduga, V; Manjrekar, P; Jena, LK; Koushik, K; Shanbhag, G; Jatheendranath, S; Manjunatha, MR; Gorai, G; Bathula, C; Rudrapatna, S; Achar, V; Sharma, S; Ambady, A; Hegde, N; Mahadevaswamy, J; Kaur, P; Sambandamurthy, VK; Awasthy, D; Narayan, C; Ravishankar, S; Madhavapeddi, P; Reddy, J; Prabhakar, K; Saralaya, R; Chatterji, M; Whiteaker, J; McLaughlin, B; Chiarelli, LR; Riccardi, G; Pasca, MR; Binda, C; Neres, J; Dhar, N; Signorino-Gelo, F; McKinney, JD; Ramachandran, V; Shandil, R; Tommasi, R; Iyer, PS; Narayanan, S; Hosagrahara, V; Kavanagh, S; Dinesh, N; Ghorpade, SR AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50019515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50019515&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90644465 103930463 CHEMBL3291062 ZINC05317537 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50105170 Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2n[nH]c3ccc(F)cc23)c1Cl InChI=1S/C19H20ClFN6O/c1-26-17(20)15(9-22-26)19(28)27-12-3-4-13(27)8-11(7-12)23-18-14-6-10(21)2-5-16(14)24-25-18/h2,5-6,9,11-13H,3-4,7-8H2,1H3,(H2,23,24,25)/t11-,12+,13- BXFGFTSQWPRTPB-CLLJXQQHSA-N 50019516 CHEMBL3291063 Adenosine receptor A1 Homo sapiens 8000 ChEMBL 10.1021/jm5005978 10.7270/Q25Q4XNM 24871036 Naik, M; Humnabadkar, V; Tantry, SJ; Panda, M; Narayan, A; Guptha, S; Panduga, V; Manjrekar, P; Jena, LK; Koushik, K; Shanbhag, G; Jatheendranath, S; Manjunatha, MR; Gorai, G; Bathula, C; Rudrapatna, S; Achar, V; Sharma, S; Ambady, A; Hegde, N; Mahadevaswamy, J; Kaur, P; Sambandamurthy, VK; Awasthy, D; Narayan, C; Ravishankar, S; Madhavapeddi, P; Reddy, J; Prabhakar, K; Saralaya, R; Chatterji, M; Whiteaker, J; McLaughlin, B; Chiarelli, LR; Riccardi, G; Pasca, MR; Binda, C; Neres, J; Dhar, N; Signorino-Gelo, F; McKinney, JD; Ramachandran, V; Shandil, R; Tommasi, R; Iyer, PS; Narayanan, S; Hosagrahara, V; Kavanagh, S; Dinesh, N; Ghorpade, SR AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50019516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50019516&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90644466 103930464 CHEMBL3291063 ZINC26181656 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50111023 Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24) ULSNKDYWRFKLBP-UHFFFAOYSA-N 50064696 7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-(3-Benzo[1,3]dioxol-5-yl-propyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL307748 Adenosine receptor A1 Homo sapiens 2170 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064696&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10668865 103959678 CHEMBL307748 ZINC13554842 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50111025 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A1 Homo sapiens 549 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50111027 Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23) AXDUXMMFIPBLRQ-UHFFFAOYSA-N 50064700 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenol::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-phenol::CHEMBL67026 Adenosine receptor A1 Homo sapiens 253 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064700&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10362099 103959682 CHEMBL67026 ZINC00841354 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50111033 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC InChI=1S/C21H21N7O3/c1-29-15-8-7-13(11-17(15)30-2)5-3-9-27-19-14(12-23-27)20-24-18(16-6-4-10-31-16)26-28(20)21(22)25-19/h4,6-8,10-12H,3,5,9H2,1-2H3,(H2,22,25) YWQKIVSBEVCNDE-UHFFFAOYSA-N 50064702 7-(3-(3,4-dimethoxyphenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[3-(3,4-Dimethoxy-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL69794 Adenosine receptor A1 Homo sapiens 1650 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064702&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10645750 103959684 CHEMBL69794 ZINC13554846 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50140485 Cc1[nH]c2nc(nc(NCCCN3CCCC3=O)c2c1C)-c1ccccc1 InChI=1S/C21H25N5O/c1-14-15(2)23-21-18(14)20(22-11-7-13-26-12-6-10-17(26)27)24-19(25-21)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-13H2,1-2H3,(H2,22,23,24,25) FTDNIQQHNNWDPP-UHFFFAOYSA-N 50080293 1-[3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-propyl]-pyrrolidin-2-one::CHEMBL78377 Adenosine receptor A1 Homo sapiens 5647.0 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080293&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317970 103980464 CHEMBL78377 ZINC26484831 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50140487 CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1 GSMWUWXMHHXWOW-INIZCTEOSA-N 50080286 (S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-4-methyl-pentan-1-ol::CHEMBL78659 Adenosine receptor A1 Homo sapiens 951 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080286&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44317558 103980457 CHEMBL78659 ZINC26483282 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50140523 Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16- HLFGYAZPYDYTFN-WKILWMFISA-N 50080292 4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-cyclohexanol::CHEMBL78595 Adenosine receptor A1 Homo sapiens 40 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080292&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9949650 103980463 CHEMBL78595 ZINC26485835 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144661 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C12H11N7O/c1-2-18-6-7-9(16-18)15-12(13)19-11(7)14-10(17-19)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,15,16) KHXVFMOMODNRAN-UHFFFAOYSA-N 50082417 8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::8-ethyl-2-(2-furyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL137879 Adenosine receptor A1 Homo sapiens 5 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082417&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10659581 103982204 CHEMBL137879 ZINC13672021 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144665 COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-30-23-21(25-29-24(33-35(25)26)22-10-6-16-38-22)17-34(32-23)15-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,30,31,32,36) OLJJUIWQSVLKJD-UHFFFAOYSA-N 50082419 1-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL139182 Adenosine receptor A1 Homo sapiens 251 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082419&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10505816 103982206 CHEMBL139182 ZINC03926208 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144680 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A1 Homo sapiens 1197 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144684 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-8-28-11-14-16(26-28)24-19(25-20(30)22-13-6-3-5-12(21)10-13)29-18(14)23-17(27-29)15-7-4-9-31-15/h3-7,9-11H,2,8H2,1H3,(H2,22,24,25,26,30) NFDDKDIFVJEASK-UHFFFAOYSA-N 85619 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]urea::CHEMBL138332::MRE 3010F20 Adenosine receptor A1 Homo sapiens 30 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85619&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9910926 136351719 CHEMBL138332 465 ZINC13472317 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144688 Clc1cccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C26H21ClN8O2/c27-18-10-4-11-19(15-18)28-26(36)31-25-30-22-20(24-29-23(33-35(24)25)21-12-6-14-37-21)16-34(32-22)13-5-9-17-7-2-1-3-8-17/h1-4,6-8,10-12,14-16H,5,9,13H2,(H2,28,30,31,32,36) NVIPLOWTLXCBSA-UHFFFAOYSA-N 50082420 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL342906 Adenosine receptor A1 Homo sapiens 1500 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082420&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10601859 103982207 CHEMBL342906 ZINC13672045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144698 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A1 Homo sapiens 1026 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144700 CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17) SJZFDIQTLVHZRM-UHFFFAOYSA-N 50082416 2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL344706 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082416&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10779327 103982203 CHEMBL344706 ZINC13672023 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144709 COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-29-22-20(16-33(31-22)14-13-17-6-3-2-4-7-17)24-28-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,29,30,31,35) ZAEGMWXQQUWCTO-UHFFFAOYSA-N 50082421 1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL422820 Adenosine receptor A1 Homo sapiens 201 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082421&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10791347 103982208 CHEMBL422820 ZINC03926206 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144715 Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C25H19ClN8O2/c26-17-8-4-9-18(14-17)27-25(35)30-24-29-21-19(15-33(31-21)12-11-16-6-2-1-3-7-16)23-28-22(32-34(23)24)20-10-5-13-36-20/h1-10,13-15H,11-12H2,(H2,27,29,30,31,35) PARJXHXDPQTXJY-UHFFFAOYSA-N 50082426 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL137950 Adenosine receptor A1 Homo sapiens 251 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082426&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10696675 103982213 CHEMBL137950 ZINC13672041 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144717 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) NWAXVCISHHAARQ-UHFFFAOYSA-N 50082425 1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL141154 Adenosine receptor A1 Homo sapiens 249 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082425&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9910158 103982212 CHEMBL141154 ZINC13472316 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144727 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22) PUYNLRZJFOQWRV-UHFFFAOYSA-N 50051234 2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL16867::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051234&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10246959 103948232 CHEMBL16867 ZINC12405951 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50144729 Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-22-16-14(18-21-17(24-26(18)19)15-9-5-11-27-15)12-25(23-16)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22,23) KWNNEOHJLFPMKY-UHFFFAOYSA-N 50082423 2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL423542 Adenosine receptor A1 Homo sapiens 3 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082423&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10737168 103982210 CHEMBL423542 ZINC13672043 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153400 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26) UGCOFEOEBHUEHA-UHFFFAOYSA-N 50037440 (E)-3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid::3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid::CHEMBL16997 Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037440&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6439089 103944987 CHEMBL16997 443 ZINC05114734 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153406 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(O)=O)cc1 InChI=1S/C26H27N5O6/c1-3-13-30-23-21(24(33)31(14-4-2)26(30)36)28-22(29-23)16-7-11-19(12-8-16)37-15-20(32)27-18-9-5-17(6-10-18)25(34)35/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)(H,34,35) TVQXEDLVTCLFMN-UHFFFAOYSA-N 50086169 4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-benzoic acid (0.60CH2CL2)::CHEMBL16931 Adenosine receptor A1 Homo sapiens 161 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086169&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9935943 103985561 CHEMBL16931 ZINC13806296 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153407 OC(=O)COc1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1 InChI=1S/C19H18N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h3-8H,1-2,9-11H2,(H,20,21)(H,24,25) CZKQVHBXRSZWAF-UHFFFAOYSA-N 50037435 CHEMBL16724::[4-(1,3-Diallyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid Adenosine receptor A1 Homo sapiens 1660 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037435&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 541903 103944982 CHEMBL16724 ZINC12405707 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153411 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(N)=O)cc1 InChI=1S/C26H28N6O5/c1-3-13-31-24-21(25(35)32(14-4-2)26(31)36)29-23(30-24)17-7-11-19(12-8-17)37-15-20(33)28-18-9-5-16(6-10-18)22(27)34/h5-12H,3-4,13-15H2,1-2H3,(H2,27,34)(H,28,33)(H,29,30) OOOUJHKGHPENGG-UHFFFAOYSA-N 50086171 4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-benzamide::CHEMBL275360 Adenosine receptor A1 Homo sapiens 161 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086171&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9827467 103985563 CHEMBL275360 ZINC13806290 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153412 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 InChI=1S/C26H28N6O5/c1-5-13-30-22-20(25(36)31(14-6-2)26(30)37)27-21(28-22)18-10-7-17(8-11-18)9-12-19(33)29-32-23(34)15(3)16(4)24(32)35/h7-12H,5-6,13-14H2,1-4H3,(H,27,28)(H,29,33) BVIGNHBNZOHTOP-UHFFFAOYSA-N 50086163 CHEMBL17294::N-(3,4-Dimethyl-2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylamide Adenosine receptor A1 Homo sapiens 105 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086163&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10839228 103985555 CHEMBL17294 ZINC13806305 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153420 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C26H26F3N5O4/c1-3-13-33-23-21(24(36)34(14-4-2)25(33)37)31-22(32-23)16-5-11-19(12-6-16)38-15-20(35)30-18-9-7-17(8-10-18)26(27,28)29/h5-12H,3-4,13-15H2,1-2H3,(H,30,35)(H,31,32) GZUNHVCICSYXEN-UHFFFAOYSA-N 50086174 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-trifluoromethyl-phenyl)-acetamide::CHEMBL277386 Adenosine receptor A1 Homo sapiens 61.2 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086174&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10792296 103985566 CHEMBL277386 ZINC34800556 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153423 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 InChI=1S/C25H26ClN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) YDLQRGLBZOEJGX-UHFFFAOYSA-N 50086164 CHEMBL275427::N-(4-Chloro-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide 0.26(CH3)2CO::N-(4-chlorophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 49.7 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086164&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10720065 103985556 CHEMBL275427 ZINC13679032 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153455 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 InChI=1S/C25H26BrN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) GNWZTRBDJOQWCR-UHFFFAOYSA-N 50086184 CHEMBL17003::N-(4-Bromo-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-bromophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 73.5 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086184&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10840167 103985576 CHEMBL17003 ZINC34800558 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153460 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 InChI=1S/C25H26IN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) PSKLSICGXZNEBV-UHFFFAOYSA-N 50086165 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)-N-(4-iodophenyl)acetamide::2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-iodo-phenyl)-acetamide (0.60CH3OH)::CHEMBL278039 Adenosine receptor A1 Homo sapiens 293 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086165&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11801496 103985557 CHEMBL278039 ZINC34800559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153461 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1 InChI=1S/C26H29N5O4/c1-3-14-30-24-22(25(33)31(15-4-2)26(30)34)28-23(29-24)19-10-12-20(13-11-19)35-17-21(32)27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,27,32)(H,28,29) BZAIRJUILWPFJR-UHFFFAOYSA-N 50086166 CHEMBL275605::N-Benzyl-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-benzyl-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 54.7 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086166&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9912816 103985558 CHEMBL275605 ZINC13679040 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153462 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1 InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) ZKUCFFYOQOJLGT-UHFFFAOYSA-N 50086173 CHEMBL17002::N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (0.23H2O)::N-(4-acetylphenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 157 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5139184 103985565 CHEMBL17002 3287 ZINC01490517 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153466 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1 InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30) DSQNPGQGZQBMQL-UHFFFAOYSA-N 50086187 CHEMBL16534::N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide Adenosine receptor A1 Homo sapiens 234 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086187&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9870719 103985579 CHEMBL16534 ZINC13806284 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153487 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) FIQGIOAELHTLHM-UHFFFAOYSA-N 50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC Adenosine receptor A1 Homo sapiens 6.82 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207816&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search XAC 3REY 5697 104085140 CHEMBL273094 404 ZINC28763883 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153508 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 403.0 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153509 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1ccc(OCC(O)=O)cc1 InChI=1S/C21H26N4O5/c1-3-5-11-24-19-17(20(28)25(21(24)29)12-6-4-2)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)27/h7-10H,3-6,11-13H2,1-2H3,(H,22,23)(H,26,27) XOJJNLCMZUFINT-UHFFFAOYSA-N 50037422 CHEMBL17123::[4-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid Adenosine receptor A1 Homo sapiens 149 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037422&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10387088 103944969 CHEMBL17123 ZINC12405711 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153515 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 InChI=1S/C25H28N6O6/c1-5-11-29-21-19(24(35)30(12-6-2)25(29)36)26-20(27-21)16-7-9-17(10-8-16)37-13-18(32)28-31-22(33)14(3)15(4)23(31)34/h7-10H,5-6,11-13H2,1-4H3,(H,26,27)(H,28,32) NIXWFDNYUWLKLC-UHFFFAOYSA-N 50086179 CHEMBL17173::N-(3,4-Dimethyl-2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide Adenosine receptor A1 Homo sapiens 3030 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086179&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9936058 103985571 CHEMBL17173 ZINC01490469 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153516 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1 InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25) QTMMGCYGCFXBFI-UHFFFAOYSA-N 50008405 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetic acid::CHEMBL27041::[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid::[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid Adenosine receptor A1 Homo sapiens 175 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50008405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50008405&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 126079 103921566 CHEMBL27041 451 ZINC05114736 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153523 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2C(C)=O)cc1 InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)18-10-12-19(13-11-18)37-16-22(34)28-21-9-7-6-8-20(21)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) SZTYGIVWLSLJRO-UHFFFAOYSA-N 50086186 CHEMBL17341::N-(2-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide Adenosine receptor A1 Homo sapiens 335 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086186&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9870718 103985578 CHEMBL17341 ZINC01490518 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153530 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 InChI=1S/C33H35N5O4/c1-3-19-37-31-29(32(40)38(20-4-2)33(37)41)34-30(35-31)26-15-17-27(18-16-26)42-23-28(39)36(21-24-11-7-5-8-12-24)22-25-13-9-6-10-14-25/h5-18H,3-4,19-23H2,1-2H3,(H,34,35) HMEDGXBEDQKBKZ-UHFFFAOYSA-N 50086176 CHEMBL275149::N,N-Dibenzyl-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N,N-dibenzyl-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 690 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086176&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9850900 103985568 CHEMBL275149 ZINC34800557 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153533 OC(=O)C=Cc1ccc(cc1)-c1nc2n(CC3CCCCC3)c(=O)n(CC3CCCCC3)c(=O)c2[nH]1 InChI=1S/C28H34N4O4/c33-23(34)16-13-19-11-14-22(15-12-19)25-29-24-26(30-25)31(17-20-7-3-1-4-8-20)28(36)32(27(24)35)18-21-9-5-2-6-10-21/h11-16,20-21H,1-10,17-18H2,(H,29,30)(H,33,34) LERWZBXJAOSNBN-UHFFFAOYSA-N 50086185 3-[4-(1,3-Bis-cyclohexylmethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid::CHEMBL17103 Adenosine receptor A1 Homo sapiens 4890 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086185&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9957239 103985577 CHEMBL17103 ZINC01544217 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153538 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1 InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28) PMGIEKWQRPFFJL-UHFFFAOYSA-N 50086168 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)-N-phenylacetamide::2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-phenyl-acetamide::CHEMBL16677 Adenosine receptor A1 Homo sapiens 40.1 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086168&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9825550 103985560 CHEMBL16677 ZINC13679036 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153540 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 InChI=1S/C25H26FN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) QZRYHFVTTSQWHO-UHFFFAOYSA-N 50086182 2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)-N-(4-fluorophenyl)acetamide::2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-fluoro-phenyl)-acetamide::CHEMBL16929 Adenosine receptor A1 Homo sapiens 17.9 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086182&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10767043 103985574 CHEMBL16929 ZINC13679034 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153542 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1 InChI=1S/C27H29N5O6/c1-4-14-31-24-22(25(34)32(15-5-2)27(31)36)29-23(30-24)17-8-12-20(13-9-17)38-16-21(33)28-19-10-6-18(7-11-19)26(35)37-3/h6-13H,4-5,14-16H2,1-3H3,(H,28,33)(H,29,30) KRCHPUAHJLFBTQ-UHFFFAOYSA-N 50086172 4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-benzoic acid methyl ester::CHEMBL16741 Adenosine receptor A1 Homo sapiens 225 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086172&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9936467 103985564 CHEMBL16741 ZINC13806287 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50153578 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 InChI=1S/C25H26N6O6/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)37-15-20(32)26-17-7-9-18(10-8-17)31(35)36/h5-12H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28) KFCWOAWPHAAPIH-UHFFFAOYSA-N 50086167 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-nitro-phenyl)-acetamide (0.43CH3OH)::CHEMBL16787 Adenosine receptor A1 Homo sapiens 57 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086167&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10839296 103985559 CHEMBL16787 C02125 ZINC13806302 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50150902 COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+ FWLDDFYHEQMIGG-MDZDMXLPSA-N 50084860 3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl]-7-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione(MSX-2)::CHEMBL413079 Adenosine receptor A1 Homo sapiens 2500 ChEMBL 10.1021/jm9911480 10.7270/Q21C1W36 10669571 Sauer, R; Maurinsh, J; Reith, U; Fulle, F; Klotz, KN; Muller, CE University of Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084860&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10046145 103984388 CHEMBL413079 5610 ZINC03822842 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50152078 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A1 Homo sapiens 1197 ChEMBL 10.1016/s0960-894x(99)00674-5 10.7270/Q2QV3KQB 10698437 Baraldi, PG; Cacciari, B; Romagnoli, R; Varani, K; Merighi, S; Gessi, S; Borea, PA; Leung, E; Hickey, SL; Spalluto, G Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50152081 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A1 Homo sapiens 1026 ChEMBL 10.1016/s0960-894x(99)00674-5 10.7270/Q2QV3KQB 10698437 Baraldi, PG; Cacciari, B; Romagnoli, R; Varani, K; Merighi, S; Gessi, S; Borea, PA; Leung, E; Hickey, SL; Spalluto, G Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169696 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22) PUYNLRZJFOQWRV-UHFFFAOYSA-N 50051234 2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL16867::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051234&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10246959 103948232 CHEMBL16867 ZINC12405951 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169700 Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-22-16-14(18-21-17(24-26(18)19)15-9-5-11-27-15)12-25(23-16)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22,23) KWNNEOHJLFPMKY-UHFFFAOYSA-N 50082423 2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL423542 Adenosine receptor A1 Homo sapiens 3 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082423&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10737168 103982210 CHEMBL423542 ZINC13672043 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169702 COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C23H24N8O3/c1-14(2)10-11-30-13-17-19(28-30)26-22(27-23(32)24-15-6-8-16(33-3)9-7-15)31-21(17)25-20(29-31)18-5-4-12-34-18/h4-9,12-14H,10-11H2,1-3H3,(H2,24,26,27,28,32) ZVVJMBSLHODZLV-UHFFFAOYSA-N 50094679 1-(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL358735 Adenosine receptor A1 Homo sapiens 175 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094679&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11798195 103992555 CHEMBL358735 ZINC03926205 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169703 CC(C)CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C22H21ClN8O2/c1-13(2)8-9-30-12-16-18(28-30)26-21(27-22(32)24-15-6-3-5-14(23)11-15)31-20(16)25-19(29-31)17-7-4-10-33-17/h3-7,10-13H,8-9H2,1-2H3,(H2,24,26,27,28,32) SFQLGHQUUPLEHJ-UHFFFAOYSA-N 50094680 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL359044 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094680&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11798368 103992556 CHEMBL359044 ZINC13672033 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169705 Clc1cccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C25H16Br3ClN8O2/c26-17-11-19(28)18(27)9-13(17)6-7-36-12-16-21(34-36)32-24(33-25(38)30-15-4-1-3-14(29)10-15)37-23(16)31-22(35-37)20-5-2-8-39-20/h1-5,8-12H,6-7H2,(H2,30,32,33,34,38) WMUVQLDTRXROGS-UHFFFAOYSA-N 50094681 1-(3-Chloro-phenyl)-3-{2-furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl}-urea::CHEMBL341852 Adenosine receptor A1 Homo sapiens 389 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094681&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10605011 103992557 CHEMBL341852 ZINC95611437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169710 Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(nn12)-c1ccco1 InChI=1S/C22H17N7O/c23-22-25-19-17(21-24-20(27-29(21)22)18-9-4-12-30-18)13-28(26-19)11-10-15-7-3-6-14-5-1-2-8-16(14)15/h1-9,12-13H,10-11H2,(H2,23,25,26) KVPYVHAQCCBFJP-UHFFFAOYSA-N 50094684 2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL146658 Adenosine receptor A1 Homo sapiens 348 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094684&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10834513 103992560 CHEMBL146658 ZINC13672047 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169713 Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H12Br3N7O/c19-11-7-13(21)12(20)6-9(11)3-4-27-8-10-15(25-27)24-18(22)28-17(10)23-16(26-28)14-2-1-5-29-14/h1-2,5-8H,3-4H2,(H2,22,24,25) QYNQDOYOHRANSN-UHFFFAOYSA-N 50094678 2-Furan-2-yl-8-(2,4,5-tribromo-benzyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL144972 Adenosine receptor A1 Homo sapiens 247.0 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094678&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10769581 103992554 CHEMBL144972 ZINC27547644 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169717 Nc1nc2n[nH]cc2c2nc(nn12)-c1ccco1 InChI=1S/C10H7N7O/c11-10-14-7-5(4-12-15-7)9-13-8(16-17(9)10)6-2-1-3-18-6/h1-4H,(H3,11,12,14,15) YKWJNVFPKLFRRE-UHFFFAOYSA-N 50051230 2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL276738 Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051230&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10377027 103948228 CHEMBL276738 ZINC13835600 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169718 Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C25H19ClN8O2/c26-17-8-4-9-18(14-17)27-25(35)30-24-29-21-19(15-33(31-21)12-11-16-6-2-1-3-7-16)23-28-22(32-34(23)24)20-10-5-13-36-20/h1-10,13-15H,11-12H2,(H2,27,29,30,31,35) PARJXHXDPQTXJY-UHFFFAOYSA-N 50082426 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL137950 Adenosine receptor A1 Homo sapiens 251 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082426&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10696675 103982213 CHEMBL137950 ZINC13672041 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169732 CC(C)=CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C15H15N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-5,7-8H,6H2,1-2H3,(H2,16,18,19) PTQDCTWMECJFBE-UHFFFAOYSA-N 50094682 2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-(3-methyl-but-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL145623 Adenosine receptor A1 Homo sapiens 5.42 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094682&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10852375 103992558 CHEMBL145623 ZINC13672035 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169733 Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29) DWZXGZAHYQTPLP-UHFFFAOYSA-N 50094692 1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea::CHEMBL141550 Adenosine receptor A1 Homo sapiens 8.1 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094692&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10225178 103992568 CHEMBL141550 ZINC00594328 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169736 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) NWAXVCISHHAARQ-UHFFFAOYSA-N 50082425 1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL141154 Adenosine receptor A1 Homo sapiens 249 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082425&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9910158 103982212 CHEMBL141154 ZINC13472316 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169740 COc1ccc(NC(=O)Nc2nc3nn(CC=C(C)C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C23H22N8O3/c1-14(2)10-11-30-13-17-19(28-30)26-22(27-23(32)24-15-6-8-16(33-3)9-7-15)31-21(17)25-20(29-31)18-5-4-12-34-18/h4-10,12-13H,11H2,1-3H3,(H2,24,26,27,28,32) AISZDPKOHKVRLJ-UHFFFAOYSA-N 50094695 1-(2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-[2-Furan-2-yl-8-(3-methyl-but-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL142926 Adenosine receptor A1 Homo sapiens 300 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094695&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9868763 103992571 CHEMBL142926 ZINC13672037 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169741 CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18) NSGXVWJIQHDYOE-UHFFFAOYSA-N 50051242 8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL16894 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051242&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10637742 103948240 CHEMBL16894 ZINC12405949 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169742 COc1ccc(NC(=O)Nc2nc3nn(cc3c3nc(nn23)-c2ccco2)C(C)(C)C)cc1 InChI=1S/C22H22N8O3/c1-22(2,3)29-12-15-17(27-29)25-20(26-21(31)23-13-7-9-14(32-4)10-8-13)30-19(15)24-18(28-30)16-6-5-11-33-16/h5-12H,1-4H3,(H2,23,25,26,27,31) KFCJVCKIWKNMNB-UHFFFAOYSA-N 50094686 1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::1-(8-tert-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::CHEMBL357663 Adenosine receptor A1 Homo sapiens 796 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094686&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9824812 103992562 CHEMBL357663 ZINC13672029 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169747 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C12H11N7O/c1-2-18-6-7-9(16-18)15-12(13)19-11(7)14-10(17-19)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,15,16) KHXVFMOMODNRAN-UHFFFAOYSA-N 50082417 8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::8-ethyl-2-(2-furyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL137879 Adenosine receptor A1 Homo sapiens 5 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082417&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10659581 103982204 CHEMBL137879 ZINC13672021 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169750 CC(C)(C)n1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C14H15N7O/c1-14(2,3)20-7-8-10(18-20)17-13(15)21-12(8)16-11(19-21)9-5-4-6-22-9/h4-7H,1-3H3,(H2,15,17,18) RWMLPEOKXLBPHX-UHFFFAOYSA-N 50094693 8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::8-tert-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL414620 Adenosine receptor A1 Homo sapiens 175 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094693&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10661707 103992569 CHEMBL414620 ZINC13672027 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169752 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) DSYBQTPGBPZMKO-UHFFFAOYSA-N 50094691 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL329791 Adenosine receptor A1 Homo sapiens 1097 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094691&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9801343 103992567 CHEMBL329791 ZINC13472313 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169753 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) XMCVJFCDPDUAPT-UHFFFAOYSA-N 50094687 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::CHEMBL330286 Adenosine receptor A1 Homo sapiens 296 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094687&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10623248 103992563 CHEMBL330286 ZINC13472318 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169759 Clc1cccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C29H21ClN8O2/c30-20-9-4-10-21(16-20)31-29(39)34-28-33-25-23(27-32-26(36-38(27)28)24-12-5-15-40-24)17-37(35-25)14-13-19-8-3-7-18-6-1-2-11-22(18)19/h1-12,15-17H,13-14H2,(H2,31,33,34,35,39) GQCGUWPDYGWRML-UHFFFAOYSA-N 50094698 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::CHEMBL145123 Adenosine receptor A1 Homo sapiens 3164 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094698&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10626463 103992574 CHEMBL145123 ZINC27548141 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169762 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A1 Homo sapiens 4.4 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169764 Clc1cccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C26H21ClN8O2/c27-18-10-4-11-19(15-18)28-26(36)31-25-30-22-20(24-29-23(33-35(24)25)21-12-6-14-37-21)16-34(32-22)13-5-9-17-7-2-1-3-8-17/h1-4,6-8,10-12,14-16H,5,9,13H2,(H2,28,30,31,32,36) NVIPLOWTLXCBSA-UHFFFAOYSA-N 50082420 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL342906 Adenosine receptor A1 Homo sapiens 1500 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082420&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10601859 103982207 CHEMBL342906 ZINC13672045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169772 COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-29-22-20(16-33(31-22)14-13-17-6-3-2-4-7-17)24-28-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,29,30,31,35) ZAEGMWXQQUWCTO-UHFFFAOYSA-N 50082421 1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL422820 Adenosine receptor A1 Homo sapiens 201 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082421&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10791347 103982208 CHEMBL422820 ZINC03926206 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169774 CC(C)=CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C22H19ClN8O2/c1-13(2)8-9-30-12-16-18(28-30)26-21(27-22(32)24-15-6-3-5-14(23)11-15)31-20(16)25-19(29-31)17-7-4-10-33-17/h3-8,10-12H,9H2,1-2H3,(H2,24,26,27,28,32) FKTKRJGYATWTBW-UHFFFAOYSA-N 50094685 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(3-methyl-but-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL342500 Adenosine receptor A1 Homo sapiens 352 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094685&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9868991 103992561 CHEMBL342500 ZINC13672039 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169777 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A1 Homo sapiens 1197 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169780 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A1 Homo sapiens 1026 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169784 Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28) XMSLNRUNVUAOJS-UHFFFAOYSA-N 50094690 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL344501 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094690&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9822747 103992566 CHEMBL344501 ZINC13472314 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169797 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15) PKVBGKUACUZPER-UHFFFAOYSA-N 50094701 2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL342059 Adenosine receptor A1 Homo sapiens 101 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094701&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10587109 103992577 CHEMBL342059 ZINC13672019 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169799 CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C15H17N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-4,7-9H,5-6H2,1-2H3,(H2,16,18,19) NXSARBYAOXIQJA-UHFFFAOYSA-N 50094688 2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL315150 Adenosine receptor A1 Homo sapiens 2 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094688&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10852506 103992564 CHEMBL315150 ZINC12405950 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169800 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-8-28-11-14-16(26-28)24-19(25-20(30)22-13-6-3-5-12(21)10-13)29-18(14)23-17(27-29)15-7-4-9-31-15/h3-7,9-11H,2,8H2,1H3,(H2,22,24,25,26,30) NFDDKDIFVJEASK-UHFFFAOYSA-N 85619 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]urea::CHEMBL138332::MRE 3010F20 Adenosine receptor A1 Homo sapiens 30 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85619&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9910926 136351719 CHEMBL138332 465 ZINC13472317 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169802 Clc1cccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C17H11ClN8O2/c18-9-3-1-4-10(7-9)20-17(27)23-16-22-13-11(8-19-24-13)15-21-14(25-26(15)16)12-5-2-6-28-12/h1-8H,(H3,19,20,22,23,24,27) CSGAYPUTEQNSDK-UHFFFAOYSA-N 50094683 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL142562 Adenosine receptor A1 Homo sapiens 238 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094683&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9843606 103992559 CHEMBL142562 ZINC13835601 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169811 COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C18H14N8O3/c1-28-11-6-4-10(5-7-11)20-18(27)23-17-22-14-12(9-19-24-14)16-21-15(25-26(16)17)13-3-2-8-29-13/h2-9H,1H3,(H3,19,20,22,23,24,27) FQZFDCXROFCGHP-UHFFFAOYSA-N 50094696 1-(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL145767 Adenosine receptor A1 Homo sapiens 448.0 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094696&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9800549 103992572 CHEMBL145767 ZINC13554867 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169815 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-2-3-9-29-12-15-17(27-29)25-20(26-21(31)23-14-7-4-6-13(22)11-14)30-19(15)24-18(28-30)16-8-5-10-32-16/h4-8,10-12H,2-3,9H2,1H3,(H2,23,25,26,27,31) OIVZKXGLPGFSTR-UHFFFAOYSA-N 50094699 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chlorophenyl)urea::CHEMBL423934 Adenosine receptor A1 Homo sapiens 245 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094699&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10647227 103992575 CHEMBL423934 ZINC13472319 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169818 CC(C)(C)n1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-21(2,3)29-11-14-16(27-29)25-19(26-20(31)23-13-7-4-6-12(22)10-13)30-18(14)24-17(28-30)15-8-5-9-32-15/h4-11H,1-3H3,(H2,23,25,26,27,31) BKGNWAOTMICOMA-UHFFFAOYSA-N 50094689 1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chloro-phenyl)-urea::1-(8-tert-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chlorophenyl)urea::CHEMBL344724 Adenosine receptor A1 Homo sapiens 1015 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094689&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9890003 103992565 CHEMBL344724 ZINC13672031 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169838 COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-30-23-21(25-29-24(33-35(25)26)22-10-6-16-38-22)17-34(32-23)15-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,30,31,32,36) OLJJUIWQSVLKJD-UHFFFAOYSA-N 50082419 1-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL139182 Adenosine receptor A1 Homo sapiens 251 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082419&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10505816 103982206 CHEMBL139182 ZINC03926208 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169847 COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39) VQYJAIHIXOQQPT-UHFFFAOYSA-N 50094697 1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL145734 Adenosine receptor A1 Homo sapiens 2466 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094697&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10745111 103992573 CHEMBL145734 ZINC27547336 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169850 COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H15ClN6O3/c1-30-14-7-5-13(6-8-14)23-21(29)26-20-24-16-9-4-12(22)11-15(16)19-25-18(27-28(19)20)17-3-2-10-31-17/h2-11H,1H3,(H2,23,24,26,29) YCBRJFDQRREGOZ-UHFFFAOYSA-N 50094694 1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL144979 Adenosine receptor A1 Homo sapiens 7.6 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094694&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10296638 103992570 CHEMBL144979 ZINC00594327 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169859 CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17) SJZFDIQTLVHZRM-UHFFFAOYSA-N 50082416 2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL344706 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082416&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10779327 103982203 CHEMBL344706 ZINC13672023 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169869 COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H19Br3N8O3/c1-39-16-6-4-15(5-7-16)30-26(38)33-25-32-22-17(24-31-23(35-37(24)25)21-3-2-10-40-21)13-36(34-22)9-8-14-11-19(28)20(29)12-18(14)27/h2-7,10-13H,8-9H2,1H3,(H2,30,32,33,34,38) LZFKHGMOYUQWQX-UHFFFAOYSA-N 50094700 1-{2-Furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl}-3-(4-methoxy-phenyl)-urea::CHEMBL359379 Adenosine receptor A1 Homo sapiens 255 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094700&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10580789 103992576 CHEMBL359379 ZINC95612337 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50169870 COc1ccc(NC(=O)Nc2nc3nn(CC=C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H18N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h3-9,11-12H,1,10H2,2H3,(H2,22,24,25,26,30) DQQUXSVJOCRLLI-UHFFFAOYSA-N 50085371 1-(8-Allyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL304726 Adenosine receptor A1 Homo sapiens 1531 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085371&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10765059 103984840 CHEMBL304726 ZINC13672025 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172182 Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1 InChI=1S/C17H16FN5O/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10/h4-6,9,24H,1-3H3,(H2,19,20,21) UWDBBNIVTAVDGD-UHFFFAOYSA-N 50095778 4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-2-methyl-but-3-yn-2-ol::CHEMBL300624 Adenosine receptor A1 Homo sapiens 30 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095778&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10616023 103993415 CHEMBL300624 ZINC13861460 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172185 OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1 OPLOPFHUHFGKMJ-JXOMPUQVSA-N 50079652 (E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-propenone::(R)-1-(2-(2-hydroxyethyl)piperidin-1-yl)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one::1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-propenone::CHEMBL440115::FK-453 Adenosine receptor A1 Homo sapiens 18 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079652&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6439091 103971794 CHEMBL440115 5606 ZINC01486608 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172186 COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3 DBROFPXBIMMIMF-UHFFFAOYSA-N 50059376 9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylic acid methyl ester::CHEMBL52735::L-249313 Adenosine receptor A1 Homo sapiens 5300 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059376&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4355631 103955217 CHEMBL52735 ZINC05343158 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172191 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccccc1F InChI=1S/C20H20FN5O/c1-26-18(13-7-3-4-8-14(13)21)25-16-17(22)23-15(24-19(16)26)9-12-20(27)10-5-2-6-11-20/h3-4,7-8,27H,2,5-6,10-11H2,1H3,(H2,22,23,24) OGMPGZVDXMCVJD-UHFFFAOYSA-N 50095788 1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol::CHEMBL301512 Adenosine receptor A1 Homo sapiens 19 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095788&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10618828 103993423 CHEMBL301512 ZINC13861449 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172192 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCCC1)-c1cccc(F)c1 InChI=1S/C21H22FN5O/c1-27-19(14-7-6-8-15(22)13-14)26-17-18(23)24-16(25-20(17)27)9-12-21(28)10-4-2-3-5-11-21/h6-8,13,28H,2-5,10-11H2,1H3,(H2,23,24,25) WGYABTABLJZAOC-UHFFFAOYSA-N 50095781 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cycloheptanol::CHEMBL296389 Adenosine receptor A1 Homo sapiens 27 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095781&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10691124 103993417 CHEMBL296389 ZINC13861459 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172201 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(c1)C#N InChI=1S/C21H20N6O/c1-27-19(15-7-5-6-14(12-15)13-22)26-17-18(23)24-16(25-20(17)27)8-11-21(28)9-3-2-4-10-21/h5-7,12,28H,2-4,9-10H2,1H3,(H2,23,24,25) KEDWXTLTOUMRQH-UHFFFAOYSA-N 50095787 3-[6-Amino-2-(1-hydroxy-cyclohexylethynyl)-9-methyl-9H-purin-8-yl]-benzonitrile::CHEMBL49925 Adenosine receptor A1 Homo sapiens 130 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095787&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10761800 103993422 CHEMBL49925 ZINC13861454 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172204 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+ UQGGPCQNHJCOPS-PKNBQFBNSA-N 50006710 8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione; compound with 8-[2-(3,4-dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL1795043::CHEMBL27508::KF-17837 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50006710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50006710&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6448585 103920033 CHEMBL1795043CHEMBL27508 ZINC03777854 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172214 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCC1)-c1cccc(F)c1 InChI=1S/C19H18FN5O/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19/h4-6,11,26H,2-3,8-9H2,1H3,(H2,21,22,23) LPAMCBPWGRTOCP-UHFFFAOYSA-N 50095790 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclopentanol::CHEMBL297685 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095790&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9841364 103993424 CHEMBL297685 ZINC00602916 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172220 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) PJFMAVHETLRJHJ-UHFFFAOYSA-N 82015 1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione::8-Phenyltheophylline::CAS_1922::CHEMBL62350::NSC_1922 Adenosine receptor A1 Homo sapiens 1340 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82015&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1922 131342589 CHEMBL62350 ZINC06530699 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172224 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccco1 InChI=1S/C18H19N5O2/c1-23-16(12-6-5-11-25-12)22-14-15(19)20-13(21-17(14)23)7-10-18(24)8-3-2-4-9-18/h5-6,11,24H,2-4,8-9H2,1H3,(H2,19,20,21) PGKBTOTUGNMPMG-UHFFFAOYSA-N 50095786 1-(6-Amino-8-furan-2-yl-9-methyl-9H-purin-2-ylethynyl)-cyclohexanol::CHEMBL50051 Adenosine receptor A1 Homo sapiens 25 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095786&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10544916 103993421 CHEMBL50051 ZINC13861446 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172228 COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3 DBROFPXBIMMIMF-UHFFFAOYSA-N 50059376 9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylic acid methyl ester::CHEMBL52735::L-249313 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059376&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4355631 103955217 CHEMBL52735 ZINC05343158 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172231 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1 InChI=1S/C20H20FN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24) PSJFQTPTZIHBKW-UHFFFAOYSA-N 50095793 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol::CHEMBL48153 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095793&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9842054 103993425 CHEMBL48153 ZINC13861450 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50172235 CCC(O)(CC)C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1 InChI=1S/C19H20FN5O/c1-4-19(26,5-2)10-9-14-22-16(21)15-18(23-14)25(3)17(24-15)12-7-6-8-13(20)11-12/h6-8,11,26H,4-5H2,1-3H3,(H2,21,22,23) NPLLJKJORHIIMF-UHFFFAOYSA-N 50095784 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-3-ethyl-pent-1-yn-3-ol::CHEMBL51192 Adenosine receptor A1 Homo sapiens 29 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095784&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10665761 103993419 CHEMBL51192 ZINC13861461 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50168348 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24) AEULVFLPCJOBCE-UHFFFAOYSA-N 50094037 2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL136689::SCH-442416 Adenosine receptor A1 Homo sapiens 1111 ChEMBL 10.1021/jm0009843 10.7270/Q2Z037C8 11087559 Todde, S; Moresco, RM; Simonelli, P; Baraldi, PG; Cacciari, B; Spalluto, G; Varani, K; Monopoli, A; Matarrese, M; Carpinelli, A; Magni, F; Kienle, MG; Fazio, F University of Milano-Bicocca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094037&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10668061 103991936 CHEMBL136689 3283 ZINC00602847 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171554 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27) STSWKOTUOJVWJD-UHFFFAOYSA-N 50095602 4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL321218 Adenosine receptor A1 Homo sapiens 21 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095602&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10368871 103993259 CHEMBL321218 ZINC36113808 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171558 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28) KAJVJPLKXGLLDA-UHFFFAOYSA-N 50095604 4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL144360 Adenosine receptor A1 Homo sapiens 0.28 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095604&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search DU1 5UEN 10839674 103993261 CHEMBL144360 ZINC36113832 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171560 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28) KAJVJPLKXGLLDA-UHFFFAOYSA-N 50095604 4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL144360 Adenosine receptor A1 Homo sapiens 24.9 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095604&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search DU1 5UEN 10839674 103993261 CHEMBL144360 ZINC36113832 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171561 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27) STSWKOTUOJVWJD-UHFFFAOYSA-N 50095602 4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL321218 Adenosine receptor A1 Homo sapiens 0.36 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095602&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10368871 103993259 CHEMBL321218 ZINC36113808 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171563 CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26) XJLGXHIRSHTRPQ-UHFFFAOYSA-N 50039676 4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester::4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester(FSCPX)::CHEMBL327708 Adenosine receptor A1 Homo sapiens 0.33 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039676&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 133012 103946871 CHEMBL327708 ZINC08034243 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171564 CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C23H29FN4O4S/c1-2-14-28-22(29)19-21(26-20(25-19)17-8-4-3-5-9-17)27(23(28)30)15-6-7-16-10-12-18(13-11-16)33(24,31)32/h10-13,17H,2-9,14-15H2,1H3,(H,25,26) FBWBTGGYCPTOPB-UHFFFAOYSA-N 50095605 4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl]-benzenesulfonyl fluoride::CHEMBL147156 Adenosine receptor A1 Homo sapiens 112 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095605&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10766957 103993262 CHEMBL147156 ZINC36123977 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171565 CCCn1c(=O)n(CCCCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C25H33FN4O4S/c1-2-16-30-24(31)21-23(28-22(27-21)19-10-6-3-7-11-19)29(25(30)32)17-8-4-5-9-18-12-14-20(15-13-18)35(26,33)34/h12-15,19H,2-11,16-17H2,1H3,(H,27,28) MIRSNUJPURWAGL-UHFFFAOYSA-N 50095603 4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-pentyl]-benzenesulfonyl fluoride::CHEMBL148098 Adenosine receptor A1 Homo sapiens 0.81 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095603&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10744124 103993260 CHEMBL148098 ZINC36123980 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171566 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27) STSWKOTUOJVWJD-UHFFFAOYSA-N 50095602 4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL321218 Adenosine receptor A1 Homo sapiens 0.31 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095602&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10368871 103993259 CHEMBL321218 ZINC36113808 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171567 CCCn1c(=O)n(CCCCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C25H33FN4O4S/c1-2-16-30-24(31)21-23(28-22(27-21)19-10-6-3-7-11-19)29(25(30)32)17-8-4-5-9-18-12-14-20(15-13-18)35(26,33)34/h12-15,19H,2-11,16-17H2,1H3,(H,27,28) MIRSNUJPURWAGL-UHFFFAOYSA-N 50095603 4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-pentyl]-benzenesulfonyl fluoride::CHEMBL148098 Adenosine receptor A1 Homo sapiens 101 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095603&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10744124 103993260 CHEMBL148098 ZINC36123980 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171568 CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C21H25FN4O4S/c1-2-12-25-20(27)17-19(24-18(23-17)15-6-4-3-5-7-15)26(21(25)28)13-14-8-10-16(11-9-14)31(22,29)30/h8-11,15H,2-7,12-13H2,1H3,(H,23,24) WAKCZXOWEGJALQ-UHFFFAOYSA-N 50095606 4-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-ylmethyl)-benzenesulfonyl fluoride::CHEMBL359066 Adenosine receptor A1 Homo sapiens 165 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095606&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10765882 103993263 CHEMBL359066 ZINC36123982 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171569 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28) KAJVJPLKXGLLDA-UHFFFAOYSA-N 50095604 4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL144360 Adenosine receptor A1 Homo sapiens 0.34 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095604&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search DU1 5UEN 10839674 103993261 CHEMBL144360 ZINC36113832 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171570 CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26) XJLGXHIRSHTRPQ-UHFFFAOYSA-N 50039676 4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester::4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester(FSCPX)::CHEMBL327708 Adenosine receptor A1 Homo sapiens 0.71 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039676&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 133012 103946871 CHEMBL327708 ZINC08034243 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171571 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28) KAJVJPLKXGLLDA-UHFFFAOYSA-N 50095604 4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL144360 Adenosine receptor A1 Homo sapiens 0.27 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095604&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search DU1 5UEN 10839674 103993261 CHEMBL144360 ZINC36113832 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171572 CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C21H25FN4O4S/c1-2-12-25-20(27)17-19(24-18(23-17)15-6-4-3-5-7-15)26(21(25)28)13-14-8-10-16(11-9-14)31(22,29)30/h8-11,15H,2-7,12-13H2,1H3,(H,23,24) WAKCZXOWEGJALQ-UHFFFAOYSA-N 50095606 4-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-ylmethyl)-benzenesulfonyl fluoride::CHEMBL359066 Adenosine receptor A1 Homo sapiens 0.32 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095606&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10765882 103993263 CHEMBL359066 ZINC36123982 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171573 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27) STSWKOTUOJVWJD-UHFFFAOYSA-N 50095602 4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL321218 Adenosine receptor A1 Homo sapiens 0.26 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095602&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10368871 103993259 CHEMBL321218 ZINC36113808 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171576 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28) KAJVJPLKXGLLDA-UHFFFAOYSA-N 50095604 4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL144360 Adenosine receptor A1 Homo sapiens 0.37 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095604&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search DU1 5UEN 10839674 103993261 CHEMBL144360 ZINC36113832 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171578 CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 InChI=1S/C23H29FN4O4S/c1-2-14-28-22(29)19-21(26-20(25-19)17-8-4-3-5-9-17)27(23(28)30)15-6-7-16-10-12-18(13-11-16)33(24,31)32/h10-13,17H,2-9,14-15H2,1H3,(H,25,26) FBWBTGGYCPTOPB-UHFFFAOYSA-N 50095605 4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl]-benzenesulfonyl fluoride::CHEMBL147156 Adenosine receptor A1 Homo sapiens 0.37 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095605&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10766957 103993262 CHEMBL147156 ZINC36123977 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171579 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27) STSWKOTUOJVWJD-UHFFFAOYSA-N 50095602 4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride::CHEMBL321218 Adenosine receptor A1 Homo sapiens 0.24 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095602&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10368871 103993259 CHEMBL321218 ZINC36113808 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50171580 CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26) XJLGXHIRSHTRPQ-UHFFFAOYSA-N 50039676 4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester::4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester(FSCPX)::CHEMBL327708 Adenosine receptor A1 Homo sapiens 11.8 ChEMBL 10.1021/jm000181f 10.7270/Q2S46R66 11150167 Beauglehole, AR; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039676&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 133012 103946871 CHEMBL327708 ZINC08034243 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50186345 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) XMCVJFCDPDUAPT-UHFFFAOYSA-N 50094687 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::CHEMBL330286 Adenosine receptor A1 Homo sapiens 296 ChEMBL 10.1021/jm010818a 10.7270/Q2WQ033H 11495585 Baraldi, PG; Cacciari, B; Moro, S; Romagnoli, R; Ji Xd, na; Jacobson, KA; Gessi, S; Borea, PA; Spalluto, G Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094687&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10623248 103992563 CHEMBL330286 ZINC13472318 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50186347 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A1 Homo sapiens 1197 ChEMBL 10.1021/jm010818a 10.7270/Q2WQ033H 11495585 Baraldi, PG; Cacciari, B; Moro, S; Romagnoli, R; Ji Xd, na; Jacobson, KA; Gessi, S; Borea, PA; Spalluto, G Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50186349 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A1 Homo sapiens 1026 ChEMBL 10.1021/jm010818a 10.7270/Q2WQ033H 11495585 Baraldi, PG; Cacciari, B; Moro, S; Romagnoli, R; Ji Xd, na; Jacobson, KA; Gessi, S; Borea, PA; Spalluto, G Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50186357 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) DSYBQTPGBPZMKO-UHFFFAOYSA-N 50094691 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL329791 Adenosine receptor A1 Homo sapiens 1097 ChEMBL 10.1021/jm010818a 10.7270/Q2WQ033H 11495585 Baraldi, PG; Cacciari, B; Moro, S; Romagnoli, R; Ji Xd, na; Jacobson, KA; Gessi, S; Borea, PA; Spalluto, G Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094691&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9801343 103992567 CHEMBL329791 ZINC13472313 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195509 Nc1nc2n(CCc3ccc(cc3)S(N)(=O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H16N8O3S/c19-18-23-16-13(17-22-15(24-26(17)18)14-2-1-9-29-14)10-21-25(16)8-7-11-3-5-12(6-4-11)30(20,27)28/h1-6,9-10H,7-8H2,(H2,19,23)(H2,20,27,28) DZOGQCZPZSZUPY-UHFFFAOYSA-N 50108029 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)benzenesulfonamide::4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-benzenesulfonamide::CHEMBL23745 Adenosine receptor A1 Homo sapiens 2630 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108029&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10928011 104003251 CHEMBL23745 ZINC13471748 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195511 Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23) XMXGGIWSFRIOKL-UHFFFAOYSA-N 50051241 2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 63390)::CHEMBL17121::SCH-63390 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051241&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9798914 103948239 CHEMBL17121 ZINC12405956 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195512 Nc1nc2n(CCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O4S/c19-18-22-16-13(17-21-15(23-25(17)18)14-2-1-9-29-14)10-20-24(16)8-7-11-3-5-12(6-4-11)30(26,27)28/h1-6,9-10H,7-8H2,(H2,19,22)(H,26,27,28) ZWERJHJGEYCEAU-UHFFFAOYSA-N 50108024 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)benzenesulfonic acid::4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-benzenesulfonic acid::CHEMBL22968 Adenosine receptor A1 Homo sapiens 190 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108024&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11048163 104003246 CHEMBL22968 ZINC13471747 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195515 Nc1nc2n(CCCc3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H16N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9H2,(H2,22,25) BSYWTKZXPDAYGJ-UHFFFAOYSA-N 50108033 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzonitrile::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzonitrile::CHEMBL22191 Adenosine receptor A1 Homo sapiens 6496.0 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108033&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11728711 104003255 CHEMBL22191 ZINC13471735 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195519 Nc1nc2n(CCCc3ccc(cc3)C(O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H17N7O3/c21-20-24-17-14(18-23-16(25-27(18)20)15-4-2-10-30-15)11-22-26(17)9-1-3-12-5-7-13(8-6-12)19(28)29/h2,4-8,10-11H,1,3,9H2,(H2,21,24)(H,28,29) UDSMQGVVBMEYMA-UHFFFAOYSA-N 50108021 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzoic acid::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzoic acid::CHEMBL279254 Adenosine receptor A1 Homo sapiens 4927.0 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108021&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10916451 104003243 CHEMBL279254 ZINC13471743 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195522 Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C([O-])=O)C([O-])=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)/p-2 XAJRAZXSOMHMEV-UHFFFAOYSA-L 50108032 CHEMBL281626::disodium 5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-2,2-dicarboxylic acid Adenosine receptor A1 Homo sapiens 9533 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108032&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91931840 104003254 CHEMBL281626 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195523 Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26) CNEVAKTYBKERIS-UHFFFAOYSA-N 50108022 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)-N,N-bis(2-hydroxyethyl)benzenesulfonamide::4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-N,N-bis-(2-hydroxy-ethyl)-benzenesulfonamide::CHEMBL22717 Adenosine receptor A1 Homo sapiens 2495 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108022&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11813241 104003244 CHEMBL22717 ZINC13471749 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195524 Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H17N7O6S/c21-20-24-18-12(19-23-17(25-27(19)20)13-4-2-6-31-13)9-22-26(18)5-1-3-11-7-14-15(33-10-32-14)8-16(11)34(28,29)30/h2,4,6-9H,1,3,5,10H2,(H2,21,24)(H,28,29,30) KMTCPHIXCANCDM-UHFFFAOYSA-N 50108028 6-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-5-sulfonic acid::CHEMBL22974 Adenosine receptor A1 Homo sapiens 6392.0 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108028&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11027282 104003250 CHEMBL22974 ZINC13471754 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195526 CN1CCN(CC1)S(=O)(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C23H25N9O3S/c1-29-10-12-30(13-11-29)36(33,34)17-6-4-16(5-7-17)8-9-31-21-18(15-25-31)22-26-20(19-3-2-14-35-19)28-32(22)23(24)27-21/h2-7,14-15H,8-13H2,1H3,(H2,24,27) UIAWUQHFYVTKHM-UHFFFAOYSA-N 50108038 2-(furan-2-yl)-7-(4-(4-methylpiperazin-1-ylsulfonyl)phenethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-{2-[4-(4-methyl-piperazine-1-sulfonyl)-phenyl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL418564 Adenosine receptor A1 Homo sapiens 369 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108038&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11060260 104003260 CHEMBL418564 ZINC13471750 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195535 Nc1nc2n(CCCc3ccc(cc3)C(=N)NO)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H19N9O2/c21-16(27-30)13-7-5-12(6-8-13)3-1-9-28-18-14(11-23-28)19-24-17(15-4-2-10-31-15)26-29(19)20(22)25-18/h2,4-8,10-11,30H,1,3,9H2,(H2,21,27)(H2,22,25) ZYQKVWSBXADVJY-UHFFFAOYSA-N 50108037 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)-N'-hydroxybenzimidamide::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-N-hydroxy-benzamidine::CHEMBL22822 Adenosine receptor A1 Homo sapiens 60 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108037&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44458220 104003259 CHEMBL22822 ZINC13471739 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195540 CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C22H21N7O4/c1-2-31-18(30)13-33-15-7-5-14(6-8-15)9-10-28-20-16(12-24-28)21-25-19(17-4-3-11-32-17)27-29(21)22(23)26-20/h3-8,11-12H,2,9-10,13H2,1H3,(H2,23,26) XUSCPSATZZCPRH-UHFFFAOYSA-N 50108035 CHEMBL22200::{4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-phenoxy}-acetic acid ethyl ester Adenosine receptor A1 Homo sapiens 4197.0 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108035&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11037671 104003257 CHEMBL22200 ZINC13471737 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195542 CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C22H21N7O3/c1-2-31-21(30)15-9-7-14(8-10-15)5-3-11-28-19-16(13-24-28)20-25-18(17-6-4-12-32-17)27-29(20)22(23)26-19/h4,6-10,12-13H,2-3,5,11H2,1H3,(H2,23,26) ONKVOHAWCUQFLD-UHFFFAOYSA-N 50108041 4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzoic acid ethyl ester::CHEMBL442338 Adenosine receptor A1 Homo sapiens 4494 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108041&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11761823 104003263 CHEMBL442338 ZINC13471736 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195549 Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C(O)=O)C(O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33) XAJRAZXSOMHMEV-UHFFFAOYSA-N 50108025 5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzo[d][1,3]dioxole-2,2-dicarboxylic acid::5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-2,2-dicarboxylic acid::CHEMBL278996 Adenosine receptor A1 Homo sapiens 9399 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108025&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10962009 104003247 CHEMBL278996 ZINC13471759 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195552 Nc1nc2n(CCCc3ccc4O[C@H](Oc4c3)C(O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C21H17N7O5/c22-21-25-17-12(18-24-16(26-28(18)21)14-4-2-8-31-14)10-23-27(17)7-1-3-11-5-6-13-15(9-11)33-20(32-13)19(29)30/h2,4-6,8-10,20H,1,3,7H2,(H2,22,25)(H,29,30)/t20-/m1/s1 AFOOOKGSRGDTCL-HXUWFJFHSA-N 50108026 5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-2-carboxylic acid::CHEMBL22355 Adenosine receptor A1 Homo sapiens 3599 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108026&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44457922 104003248 CHEMBL22355 ZINC13471760 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195557 Nc1nc2n(CCCc3ccc(cc3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H16N8O3/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)27(28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23) OAQZQVKTUMEBRY-UHFFFAOYSA-N 50108040 2-(furan-2-yl)-7-(3-(4-nitrophenyl)propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-[3-(4-nitro-phenyl)-propyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL22241 Adenosine receptor A1 Homo sapiens 1026 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108040&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10938325 104003262 CHEMBL22241 ZINC13471728 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195559 Nc1nc2n(CCCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C23H26N8O3/c24-23-27-21-18(22-26-20(28-31(22)23)19-4-2-14-34-19)15-25-30(21)9-1-3-16-5-7-17(8-6-16)29(10-12-32)11-13-33/h2,4-8,14-15,32-33H,1,3,9-13H2,(H2,24,27) KNDXQOBJPNIBGT-UHFFFAOYSA-N 50108030 2,2'-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenylazanediyl)diethanol::2-[{4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-phenyl}-(2-hydroxy-ethyl)-amino]-ethanol::CHEMBL278812 Adenosine receptor A1 Homo sapiens 558 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108030&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11005067 104003252 CHEMBL278812 ZINC13471732 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195560 NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9,11,21H2,(H2,22,25) SEYAPVQCSVXUEY-UHFFFAOYSA-N 50108020 7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[3-(4-Aminomethyl-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL22320 Adenosine receptor A1 Homo sapiens 576 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108020&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10249674 104003242 CHEMBL22320 ZINC13471740 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195561 NC(=N)c1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1 InChI=1S/C20H19N9O/c21-16(22)13-7-5-12(6-8-13)3-1-9-28-18-14(11-24-28)19-25-17(15-4-2-10-30-15)27-29(19)20(23)26-18/h2,4-8,10-11H,1,3,9H2,(H3,21,22)(H2,23,26) ZCGAZJGHUJYERE-UHFFFAOYSA-N 50108023 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzimidamide::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzamidine::CHEMBL281601 Adenosine receptor A1 Homo sapiens 4965 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108023&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10972594 104003245 CHEMBL281601 ZINC13471742 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195571 Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H24N8O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-33-18)14-24-29(20)8-7-15-3-5-16(6-4-15)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26) UBOAZJGOUUQMNL-UHFFFAOYSA-N 50108043 2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)phenylazanediyl)diethanol::2-[{4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-phenyl}-(2-hydroxy-ethyl)-amino]-ethanol::CHEMBL22202 Adenosine receptor A1 Homo sapiens 123 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108043&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10026670 104003265 CHEMBL22202 ZINC13471734 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195574 Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H22Cl2N8O3S/c23-8-11-30(12-9-24)36(33,34)16-5-3-15(4-6-16)7-10-31-20-17(14-26-31)21-27-19(18-2-1-13-35-18)29-32(21)22(25)28-20/h1-6,13-14H,7-12H2,(H2,25,28) AFJNCGQVDPTGRN-UHFFFAOYSA-N 50108027 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)-N,N-bis(2-chloroethyl)benzenesulfonamide::4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-N,N-bis-(2-chloro-ethyl)-benzenesulfonamide::CHEMBL278805 Adenosine receptor A1 Homo sapiens 5297 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108027&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11017082 104003249 CHEMBL278805 ZINC28254396 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195579 CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C20H18N8O2/c1-12(29)23-14-6-4-13(5-7-14)8-9-27-18-15(11-22-27)19-24-17(16-3-2-10-30-16)26-28(19)20(21)25-18/h2-7,10-11H,8-9H2,1H3,(H2,21,25)(H,23,29) ORFFEWLQAKDCPU-UHFFFAOYSA-N 50108036 CHEMBL22500::N-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)phenyl)acetamide::N-{4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-phenyl}-acetamide Adenosine receptor A1 Homo sapiens 419.0 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108036&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10971427 104003258 CHEMBL22500 ZINC13471730 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195582 Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)NCC(O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H18N8O5S/c21-20-25-18-14(19-24-17(26-28(19)20)15-2-1-9-33-15)10-22-27(18)8-7-12-3-5-13(6-4-12)34(31,32)23-11-16(29)30/h1-6,9-10,23H,7-8,11H2,(H2,21,25)(H,29,30) QQNUMGZGPVLZGM-UHFFFAOYSA-N 50108031 2-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)phenylsulfonamido)acetic acid::CHEMBL22881::{4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-benzenesulfonylamino}-acetic acid Adenosine receptor A1 Homo sapiens 9330 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108031&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11145314 104003253 CHEMBL22881 ZINC13471752 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195585 CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1 InChI=1S/C23H21N7O5/c1-2-32-21(31)22-34-15-8-7-13(11-17(15)35-22)5-3-9-29-19-14(12-25-29)20-26-18(16-6-4-10-33-16)28-30(20)23(24)27-19/h4,6-8,10-12,22H,2-3,5,9H2,1H3,(H2,24,27)/t22-/m1/s1 HLYUSSPLIJFDJS-JOCHJYFZSA-N 50108034 5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-2-carboxylic acid ethyl ester::CHEMBL279062 Adenosine receptor A1 Homo sapiens 1793 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108034&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44457923 104003256 CHEMBL279062 ZINC13471756 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195586 Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H21N7O5/c23-21-26-19-14(20-25-18(27-29(20)21)16-4-2-8-32-16)10-24-28(19)7-1-3-13-5-6-15-17(9-13)34-22(11-30,12-31)33-15/h2,4-6,8-10,30-31H,1,3,7,11-12H2,(H2,23,26) XWPUNBYJQDUILR-UHFFFAOYSA-N 50108019 (5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzo[d][1,3]dioxole-2,2-diyl)dimethanol::CHEMBL282888::{5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-2-hydroxymethyl-benzo[1,3]dioxol-2-yl}-methanol Adenosine receptor A1 Homo sapiens 432.0 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108019&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10050031 104003241 CHEMBL282888 ZINC13471757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195590 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A1 Homo sapiens 549 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195592 Nc1nc2n(CCCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O4S/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)31(27,28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)(H,27,28,29) QTZKVEDESUEFBV-UHFFFAOYSA-N 50108039 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzenesulfonic acid::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzenesulfonic acid::CHEMBL278605 Adenosine receptor A1 Homo sapiens 139 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108039&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10993869 104003261 CHEMBL278605 ZINC13471753 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195598 Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C19H18N8O/c20-13-7-5-12(6-8-13)3-1-9-26-17-14(11-22-26)18-23-16(15-4-2-10-28-15)25-27(18)19(21)24-17/h2,4-8,10-11H,1,3,9,20H2,(H2,21,24) QXXUKKUVQMADQS-UHFFFAOYSA-N 50108018 7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[3-(4-Amino-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL281805 Adenosine receptor A1 Homo sapiens 2160 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108018&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10904839 104003240 CHEMBL281805 ZINC13471738 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50195604 Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C18H16N8O/c19-12-5-3-11(4-6-12)7-8-25-16-13(10-21-25)17-22-15(14-2-1-9-27-14)24-26(17)18(20)23-16/h1-6,9-10H,7-8,19H2,(H2,20,23) IBPYIYGEVVBWIO-UHFFFAOYSA-N 50108042 7-(4-aminophenethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[2-(4-Amino-phenyl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL22316 Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108042&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10959335 104003264 CHEMBL22316 ZINC13471741 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50203332 C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C23H30N6O3S/c1-14-18(28-17(30)10-4-8-16-9-5-11-33-16)20(31)23(32-14)29-13-26-19-21(24-12-25-22(19)29)27-15-6-2-3-7-15/h5,9,11-15,18,20,23,31H,2-4,6-8,10H2,1H3,(H,28,30)(H,24,25,27)/t14-,18+,20-,23-/m1/s1 KVILLVKMWVCGRM-IUOOXIPFSA-N 50112187 CHEMBL296399::N-[5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-methyl-tetrahydro-furan-3-yl]-4-thiophen-2-yl-butyramide Adenosine receptor A1 Homo sapiens 419.0 ChEMBL 10.1021/jm0110439 10.7270/Q20001DD 11960496 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112187&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10322498 104006640 CHEMBL296399 ZINC13473190 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50203340 C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1CCCC[C@H]1C(=O)c1cccs1)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C27H34N6O4S/c1-15-20(32-26(36)18-10-5-4-9-17(18)22(34)19-11-6-12-38-19)23(35)27(37-15)33-14-30-21-24(28-13-29-25(21)33)31-16-7-2-3-8-16/h6,11-18,20,23,27,35H,2-5,7-10H2,1H3,(H,32,36)(H,28,29,31)/t15-,17-,18?,20+,23-,27-/m1/s1 KTJGALBVNCTAAQ-IMMHMDRLSA-N 50112191 2-(Thiophene-2-carbonyl)-cyclohexanecarboxylic acid [5-(6-cyclopentylamino-purin-9-yl)-4-hydroxy-2-methyl-tetrahydro-furan-3-yl]-amide::CHEMBL53795 Adenosine receptor A1 Homo sapiens 971 ChEMBL 10.1021/jm0110439 10.7270/Q20001DD 11960496 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112191&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44297686 104006644 CHEMBL53795 ZINC29547905 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50203341 Cn1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15) LZMRVYPPUVMKOI-UHFFFAOYSA-N 50009698 CHEMBL48278::Cyclopentyl-(9-methyl-9H-purin-6-yl)-amine::N6-cyclopentyl-9-methyladenine Adenosine receptor A1 Homo sapiens 1185 ChEMBL 10.1021/jm0110439 10.7270/Q20001DD 11960496 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009698&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4401 103922680 CHEMBL48278 ZINC00005203 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50203342 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc2OCOc2c1)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C23H26N6O6/c30-8-16-17(28-22(32)12-5-6-14-15(7-12)34-11-33-14)19(31)23(35-16)29-10-26-18-20(24-9-25-21(18)29)27-13-3-1-2-4-13/h5-7,9-10,13,16-17,19,23,30-31H,1-4,8,11H2,(H,28,32)(H,24,25,27)/t16-,17+,19-,23-/m1/s1 JDPOJHPANAAIDO-PDPLOHQNSA-N 50112190 Benzo[1,3]dioxole-5-carboxylic acid [5-(6-cyclopentylamino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-amide::CHEMBL294675 Adenosine receptor A1 Homo sapiens 443.0 ChEMBL 10.1021/jm0110439 10.7270/Q20001DD 11960496 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11005362 104006643 CHEMBL294675 ZINC13473188 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50203343 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C23H30N6O4S/c30-11-16-18(28-17(31)9-3-7-15-8-4-10-34-15)20(32)23(33-16)29-13-26-19-21(24-12-25-22(19)29)27-14-5-1-2-6-14/h4,8,10,12-14,16,18,20,23,30,32H,1-3,5-7,9,11H2,(H,28,31)(H,24,25,27)/t16-,18+,20-,23-/m1/s1 SLQOCBSEBZMZGE-RWSUSOHTSA-N 50112194 CHEMBL54334::N-[5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-4-thiophen-2-yl-butyramide Adenosine receptor A1 Homo sapiens 630 ChEMBL 10.1021/jm0110439 10.7270/Q20001DD 11960496 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112194&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10028379 104006647 CHEMBL54334 ZINC13473189 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50203355 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 2.13 ChEMBL 10.1021/jm0110439 10.7270/Q20001DD 11960496 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50203366 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(F)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C22H24ClFN6O4/c23-13-7-11(5-6-14(13)24)21(33)29-16-15(8-31)34-22(18(16)32)30-10-27-17-19(25-9-26-20(17)30)28-12-3-1-2-4-12/h5-7,9-10,12,15-16,18,22,31-32H,1-4,8H2,(H,29,33)(H,25,26,28)/t15-,16+,18-,22-/m1/s1 RTAQFGKNOBTYEX-UNMKOGDSSA-N 50112188 3-Chloro-N-[5-(6-cyclopentylamino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-4-fluoro-benzamide::CHEMBL293371 Adenosine receptor A1 Homo sapiens 579 ChEMBL 10.1021/jm0110439 10.7270/Q20001DD 11960496 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112188&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11005491 104006641 CHEMBL293371 ZINC13473186 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50203375 Cc1ccc(cc1C)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C24H30N6O4/c1-13-7-8-15(9-14(13)2)23(33)29-18-17(10-31)34-24(20(18)32)30-12-27-19-21(25-11-26-22(19)30)28-16-5-3-4-6-16/h7-9,11-12,16-18,20,24,31-32H,3-6,10H2,1-2H3,(H,29,33)(H,25,26,28)/t17-,18+,20-,24-/m1/s1 NGMDVFNUKCVJLD-DSPLJNTKSA-N 50112193 CHEMBL52648::N-[5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-3,4-dimethyl-benzamide Adenosine receptor A1 Homo sapiens 137 ChEMBL 10.1021/jm0110439 10.7270/Q20001DD 11960496 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112193&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9825790 104006646 CHEMBL52648 ZINC04393604 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50203377 Cc1ccc(cc1F)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C23H27FN6O4/c1-12-6-7-13(8-15(12)24)22(33)29-17-16(9-31)34-23(19(17)32)30-11-27-18-20(25-10-26-21(18)30)28-14-4-2-3-5-14/h6-8,10-11,14,16-17,19,23,31-32H,2-5,9H2,1H3,(H,29,33)(H,25,26,28)/t16-,17+,19-,23-/m1/s1 YWYJHFQCWJKEAG-PDPLOHQNSA-N 50112198 CHEMBL55099::N-[5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-3-fluoro-4-methyl-benzamide Adenosine receptor A1 Homo sapiens 773.0 ChEMBL 10.1021/jm0110439 10.7270/Q20001DD 11960496 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112198&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10917670 104006651 CHEMBL55099 ZINC13473184 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50201233 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O InChI=1S/C16H16N4O4/c1-2-3-8-20-14(21)11-13(19-16(20)24)18-12(17-11)9-4-6-10(7-5-9)15(22)23/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,24)(H,22,23) LMILITTYMRTXLT-UHFFFAOYSA-N 50110967 4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid::CHEMBL35094 Adenosine receptor A1 Homo sapiens 1181 ChEMBL 10.1021/jm011049y 10.7270/Q2X929MN 11906291 Hayallah, AM; Sandoval-Ramirez, J; Reith, U; Schobert, U; Preiss, B; Schumacher, B; Daly, JW; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110967&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10404217 104005631 CHEMBL35094 ZINC13472994 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50201304 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 403.0 ChEMBL 10.1021/jm011049y 10.7270/Q2X929MN 11906291 Hayallah, AM; Sandoval-Ramirez, J; Reith, U; Schobert, U; Preiss, B; Schumacher, B; Daly, JW; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50201335 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1 InChI=1S/C18H21N5O5/c1-2-8-23-17(26)14-16(22-18(23)27)21-15(20-14)11-3-5-12(6-4-11)28-10-13(25)19-7-9-24/h3-6,24H,2,7-10H2,1H3,(H,19,25)(H,20,21)(H,22,27) OKIZRSLVLMFZQA-UHFFFAOYSA-N 50110982 2-[4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(2-hydroxy-ethyl)-acetamide::CHEMBL416417 Adenosine receptor A1 Homo sapiens 68 ChEMBL 10.1021/jm011049y 10.7270/Q2X929MN 11906291 Hayallah, AM; Sandoval-Ramirez, J; Reith, U; Schobert, U; Preiss, B; Schumacher, B; Daly, JW; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110982&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10452788 104005646 CHEMBL416417 C04080 ZINC13473004 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50201343 CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1 InChI=1S/C15H15N3O2/c1-2-8-18-14(19)13-12(17-15(18)20)9-11(16-13)10-6-4-3-5-7-10/h3-7,9,16H,2,8H2,1H3,(H,17,20) BPDPDYKJBCCINO-UHFFFAOYSA-N 50041590 6-Phenyl-3-propyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione::CHEMBL35415 Adenosine receptor A1 Homo sapiens 45 ChEMBL 10.1021/jm011049y 10.7270/Q2X929MN 11906291 Hayallah, AM; Sandoval-Ramirez, J; Reith, U; Schobert, U; Preiss, B; Schumacher, B; Daly, JW; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041590&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9970296 103973289 CHEMBL35415 ZINC12405593 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50201345 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37) AARZBDDJPFYPSG-UHFFFAOYSA-N 50110992 8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-phenyl}-1-butyl-3,7-dihydro-purine-2,6-dione::CHEMBL38304 Adenosine receptor A1 Homo sapiens 122 ChEMBL 10.1021/jm011049y 10.7270/Q2X929MN 11906291 Hayallah, AM; Sandoval-Ramirez, J; Reith, U; Schobert, U; Preiss, B; Schumacher, B; Daly, JW; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110992&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10075248 104005656 CHEMBL38304 ZINC13473010 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50206936 [NH3+]c1nc-2c(Cc3c-2cccc3OC(=O)C2CCCC2)s1 InChI=1S/C16H16N2O2S/c17-16-18-14-10-6-3-7-12(11(10)8-13(14)21-16)20-15(19)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,17,18)/p+1 RAYCQDKBLZPANS-UHFFFAOYSA-O 50114257 7-Cyclopentanecarbonyloxy-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL290508 Adenosine receptor A1 Homo sapiens 4500 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50114257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50114257&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91931984 104008404 CHEMBL290508 ZINC12405257 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50206937 COc1cc-2c(Cc3sc([NH3+])nc-23)c(OC)c1OC InChI=1S/C13H14N2O3S/c1-16-8-4-6-7(11(17-2)12(8)18-3)5-9-10(6)15-13(14)19-9/h4H,5H2,1-3H3,(H2,14,15)/p+1 JLMYJGOVUHUWPR-UHFFFAOYSA-O 50114258 5,6,7-Trimethoxy-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL290778 Adenosine receptor A1 Homo sapiens 17000 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50114258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50114258&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91931985 104008405 CHEMBL290778 ZINC12405260 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50206938 Cc1ccc2Cc3sc([NH3+])nc3-c2c1 InChI=1S/C11H10N2S/c1-6-2-3-7-5-9-10(8(7)4-6)13-11(12)14-9/h2-4H,5H2,1H3,(H2,12,13)/p+1 RAUVPWCMMAEEFU-UHFFFAOYSA-O 50114259 5-Methyl-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL38437 Adenosine receptor A1 Homo sapiens 4200 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50114259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50114259&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91931986 104008406 CHEMBL38437 ZINC12405261 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50206939 [NH3+]c1nc-2c(CCc3ccccc-23)s1 InChI=1S/C11H10N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-4H,5-6H2,(H2,12,13)/p+1 RKFXIXZWTWCVBR-UHFFFAOYSA-O 50114260 4,5-Dihydro-naphtho[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL38400 Adenosine receptor A1 Homo sapiens 17000 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50114260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50114260&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91931987 104008407 CHEMBL38400 ZINC00079899 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50206940 COc1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C11H10N2OS/c1-14-7-2-3-8-6(4-7)5-9-10(8)13-11(12)15-9/h2-4H,5H2,1H3,(H2,12,13)/p+1 DERLVNUHEYDIQN-UHFFFAOYSA-O 50114261 6-Methoxy-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL288169 Adenosine receptor A1 Homo sapiens 50000 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50114261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50114261&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91931988 104008408 CHEMBL288169 ZINC12405255 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50206941 [NH3+]c1nc-2c(Cc3ccccc-23)s1 InChI=1S/C10H8N2S/c11-10-12-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4H,5H2,(H2,11,12)/p+1 XXHWFLFMSNXBLK-UHFFFAOYSA-O 50114262 8H-Indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL38834 Adenosine receptor A1 Homo sapiens 38000 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50114262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50114262&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91931989 104008409 CHEMBL38834 ZINC08729906 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198205 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-10-29-13-16-18(27-29)25-21(26-22(31)23-14-7-5-8-15(12-14)32-2)30-20(16)24-19(28-30)17-9-6-11-33-17/h5-9,11-13H,3-4,10H2,1-2H3,(H2,23,25,26,27,31) WWOJSFIUZDNCOE-UHFFFAOYSA-N 50109436 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea::CHEMBL164325 Adenosine receptor A1 Homo sapiens 248 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109436&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11080788 104004386 CHEMBL164325 ZINC13472369 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198207 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H18N8O4/c1-2-7-28-10-13-17(26-28)24-20(29-19(13)23-18(27-29)15-4-3-8-31-15)25-21(30)22-12-5-6-14-16(9-12)33-11-32-14/h3-6,8-10H,2,7,11H2,1H3,(H2,22,24,25,26,30) LFIPIWLAZKCZFG-UHFFFAOYSA-N 50109446 1-(benzo[d][1,3]dioxol-5-yl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::1-Benzo[1,3]dioxol-5-yl-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::CHEMBL166301 Adenosine receptor A1 Homo sapiens 842 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109446&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10939224 104004396 CHEMBL166301 ZINC13472349 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198214 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C20H17N9O4/c1-2-9-27-11-14-16(25-27)23-19(28-18(14)22-17(26-28)15-4-3-10-33-15)24-20(30)21-12-5-7-13(8-6-12)29(31)32/h3-8,10-11H,2,9H2,1H3,(H2,21,23,24,25,30) FMBRLWKPOKELMV-UHFFFAOYSA-N 50109448 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitrophenyl)urea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitro-phenyl)-urea::CHEMBL355415 Adenosine receptor A1 Homo sapiens 1214 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109448&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10884803 104004398 CHEMBL355415 C02125 ZINC13472350 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198215 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C18H12Cl2N8O2/c1-27-8-10-14(25-27)23-17(24-18(29)21-9-4-5-11(19)12(20)7-9)28-16(10)22-15(26-28)13-3-2-6-30-13/h2-8H,1H3,(H2,21,23,24,25,29) WRFYJOIKSSTMGJ-UHFFFAOYSA-N 50109443 1-(3,4-Dichloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3,4-dichlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL349019 Adenosine receptor A1 Homo sapiens 392 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109443&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9955052 104004393 CHEMBL349019 ZINC13472322 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198228 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28) YNNNCAAPQRZSHQ-UHFFFAOYSA-N 50109454 1-(4-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-chlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL167753 Adenosine receptor A1 Homo sapiens 430 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109454&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10431614 104004404 CHEMBL167753 ZINC13472332 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198229 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27) UYEQIRAILMVJGC-UHFFFAOYSA-N 50109453 CHEMBL341376::N-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide::N-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A1 Homo sapiens 702.0 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109453&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11014188 104004403 CHEMBL341376 ZINC13472372 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198239 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30) YSKVVKBTAXRUQS-UHFFFAOYSA-N 50109458 1-(4-Chloro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-chlorophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL164905 Adenosine receptor A1 Homo sapiens 325 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109458&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10895416 104004408 CHEMBL164905 ZINC13472358 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198243 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-8-28-11-14-16(26-28)24-19(25-20(30)22-13-6-3-5-12(21)10-13)29-18(14)23-17(27-29)15-7-4-9-31-15/h3-7,9-11H,2,8H2,1H3,(H2,22,24,25,26,30) NFDDKDIFVJEASK-UHFFFAOYSA-N 85619 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]urea::CHEMBL138332::MRE 3010F20 Adenosine receptor A1 Homo sapiens 30 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85619&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9910926 136351719 CHEMBL138332 465 ZINC13472317 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198246 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) VWSPWOIXVVRAKZ-UHFFFAOYSA-N 50109445 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolyl-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea::CHEMBL348975 Adenosine receptor A1 Homo sapiens 262 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109445&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10938276 104004395 CHEMBL348975 ZINC13472338 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198248 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A1 Homo sapiens 1197 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198251 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H18Cl2N8O2/c1-2-3-8-30-11-13-17(28-30)26-20(27-21(32)24-12-6-7-14(22)15(23)10-12)31-19(13)25-18(29-31)16-5-4-9-33-16/h4-7,9-11H,2-3,8H2,1H3,(H2,24,26,27,28,32) YWJADWXQSSUICH-UHFFFAOYSA-N 50109465 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3,4-dichloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3,4-dichlorophenyl)urea::CHEMBL352707 Adenosine receptor A1 Homo sapiens 708 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109465&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11812897 104004415 CHEMBL352707 ZINC13472361 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198253 COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H15ClN6O3/c1-30-14-7-5-13(6-8-14)23-21(29)26-20-24-16-9-4-12(22)11-15(16)19-25-18(27-28(19)20)17-3-2-10-31-17/h2-11H,1H3,(H2,23,24,26,29) YCBRJFDQRREGOZ-UHFFFAOYSA-N 50094694 1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL144979 Adenosine receptor A1 Homo sapiens 7.6 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094694&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10296638 103992570 CHEMBL144979 ZINC00594327 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198259 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C19H13F3N8O2/c1-29-9-12-14(27-29)25-17(30-16(12)24-15(28-30)13-3-2-8-32-13)26-18(31)23-11-6-4-10(5-7-11)19(20,21)22/h2-9H,1H3,(H2,23,25,26,27,31) MHDGNCOMJIVSOQ-UHFFFAOYSA-N 50109468 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-(trifluoromethyl)phenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-trifluoromethyl-phenyl)-urea::CHEMBL164686 Adenosine receptor A1 Homo sapiens 750 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109468&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10993916 104004418 CHEMBL164686 ZINC13472328 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198266 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) NWAXVCISHHAARQ-UHFFFAOYSA-N 50082425 1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL141154 Adenosine receptor A1 Homo sapiens 249 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082425&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9910158 103982212 CHEMBL141154 ZINC13472316 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198268 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) OWMCDZATZMOWJW-UHFFFAOYSA-N 50109469 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolyl-urea::CHEMBL351075 Adenosine receptor A1 Homo sapiens 302 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109469&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10938608 104004419 CHEMBL351075 ZINC13472351 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198270 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19FN8O2/c1-2-3-10-29-12-15-17(27-29)25-20(26-21(31)23-14-8-6-13(22)7-9-14)30-19(15)24-18(28-30)16-5-4-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31) YWIKZGGTUBVHBL-UHFFFAOYSA-N 50109464 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-fluoro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-fluorophenyl)urea::CHEMBL165620 Adenosine receptor A1 Homo sapiens 318 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109464&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11133843 104004414 CHEMBL165620 ZINC13472366 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198278 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19BrN8O2/c1-2-3-10-29-12-15-17(27-29)25-20(26-21(31)23-14-8-6-13(22)7-9-14)30-19(15)24-18(28-30)16-5-4-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31) BMCOYZDNAMZDPR-UHFFFAOYSA-N 50109476 1-(4-Bromo-phenyl)-3-(8-butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-bromophenyl)-3-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL350830 Adenosine receptor A1 Homo sapiens 300 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109476&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10918042 104004426 CHEMBL350830 ZINC13472365 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198282 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O5S/c1-2-9-27-11-14-16(25-27)23-19(28-18(14)22-17(26-28)15-4-3-10-33-15)24-20(29)21-12-5-7-13(8-6-12)34(30,31)32/h3-8,10-11H,2,9H2,1H3,(H,30,31,32)(H2,21,23,24,25,29) MBCAQKYUCSIGAF-UHFFFAOYSA-N 50109478 4-(3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL350573 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109478&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11070905 104004428 CHEMBL350573 ZINC13472347 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198292 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O5S/c1-2-3-10-28-12-15-17(26-28)24-20(29-19(15)23-18(27-29)16-5-4-11-34-16)25-21(30)22-13-6-8-14(9-7-13)35(31,32)33/h4-9,11-12H,2-3,10H2,1H3,(H,31,32,33)(H2,22,24,25,26,30) CUKROFJHIKPBQG-UHFFFAOYSA-N 50109442 4-(3-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[3-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL164904 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109442&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11123887 104004392 CHEMBL164904 ZINC13472360 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198293 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-2-3-10-29-12-13-17(27-29)25-20(26-21(31)23-15-8-5-4-7-14(15)22)30-19(13)24-18(28-30)16-9-6-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31) RPCXHHPLDXSEJF-UHFFFAOYSA-N 50109440 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-chloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-chlorophenyl)urea::CHEMBL349716 Adenosine receptor A1 Homo sapiens 280 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109440&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11091632 104004390 CHEMBL349716 ZINC13472370 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198297 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) XMCVJFCDPDUAPT-UHFFFAOYSA-N 50094687 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::CHEMBL330286 Adenosine receptor A1 Homo sapiens 296 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094687&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10623248 103992563 CHEMBL330286 ZINC13472318 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198300 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28) PCXPLFCLERZTBF-UHFFFAOYSA-N 50109451 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitrophenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitro-phenyl)-urea::CHEMBL354161 Adenosine receptor A1 Homo sapiens 1115 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109451&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11133545 104004401 CHEMBL354161 C02125 ZINC13472324 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198304 Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29) DWZXGZAHYQTPLP-UHFFFAOYSA-N 50094692 1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea::CHEMBL141550 Adenosine receptor A1 Homo sapiens 8.1 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094692&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10225178 103992568 CHEMBL141550 ZINC00594328 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198309 CCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H16N8O4/c1-2-27-9-12-16(25-27)23-19(28-18(12)22-17(26-28)14-4-3-7-30-14)24-20(29)21-11-5-6-13-15(8-11)32-10-31-13/h3-9H,2,10H2,1H3,(H2,21,23,24,25,29) FVFSYIHQKDNCSO-UHFFFAOYSA-N 50109475 1-(benzo[d][1,3]dioxol-5-yl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::1-Benzo[1,3]dioxol-5-yl-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::CHEMBL165083 Adenosine receptor A1 Homo sapiens 802.0 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109475&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11112849 104004425 CHEMBL165083 ZINC13472336 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198312 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-11-15(25-27)23-18(24-19(29)21-13-7-4-3-6-12(13)20)28-17(11)22-16(26-28)14-8-5-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) HBBCCVGBJNRDQE-UHFFFAOYSA-N 50109480 1-(2-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(2-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL352345 Adenosine receptor A1 Homo sapiens 348 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109480&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11004373 104004430 CHEMBL352345 ZINC13472344 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198314 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A1 Homo sapiens 1026 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198317 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C19H15N9O4/c1-2-26-10-13-15(24-26)22-18(27-17(13)21-16(25-27)14-4-3-9-32-14)23-19(29)20-11-5-7-12(8-6-11)28(30)31/h3-10H,2H2,1H3,(H2,20,22,23,24,29) ITAQPDVKHQKIHR-UHFFFAOYSA-N 50109471 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitro-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitrophenyl)urea::CHEMBL165910 Adenosine receptor A1 Homo sapiens 1134 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109471&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11026434 104004421 CHEMBL165910 C02125 ZINC13472337 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198319 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13FN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28) TWURXTVPZRAVFY-UHFFFAOYSA-N 50109434 1-(4-Fluoro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-fluorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL572765 Adenosine receptor A1 Homo sapiens 700 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109434&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10453097 104004384 CHEMBL572765 ZINC13472327 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198321 CCCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H21N7O2/c1-2-3-11-28-14-16-19(26-28)25-22(23-18(30)13-15-8-5-4-6-9-15)29-21(16)24-20(27-29)17-10-7-12-31-17/h4-10,12,14H,2-3,11,13H2,1H3,(H,23,25,26,30) PKFRXUCKLQZSPD-UHFFFAOYSA-N 50109485 CHEMBL163968::N-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide::N-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide Adenosine receptor A1 Homo sapiens 602 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109485&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11811761 104004435 CHEMBL163968 ZINC13472375 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198334 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H16Cl2N8O2/c1-2-7-29-10-12-16(27-29)25-19(26-20(31)23-11-5-6-13(21)14(22)9-11)30-18(12)24-17(28-30)15-4-3-8-32-15/h3-6,8-10H,2,7H2,1H3,(H2,23,25,26,27,31) UBPNPYAOHJXLLA-UHFFFAOYSA-N 50109486 1-(3,4-Dichloro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3,4-dichlorophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL353299 Adenosine receptor A1 Homo sapiens 611 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109486&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11081189 104004436 CHEMBL353299 ZINC13472348 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198337 Cn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H14N8O4/c1-26-8-11-15(24-26)22-18(27-17(11)21-16(25-27)13-3-2-6-29-13)23-19(28)20-10-4-5-12-14(7-10)31-9-30-12/h2-8H,9H2,1H3,(H2,20,22,23,24,28) MWPIAGIXDKLYME-UHFFFAOYSA-N 50109441 1-(benzo[d][1,3]dioxol-5-yl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::1-Benzo[1,3]dioxol-5-yl-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::CHEMBL165224 Adenosine receptor A1 Homo sapiens 1015 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109441&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10884265 104004391 CHEMBL165224 ZINC13472323 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198340 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O2/c1-2-10-27-12-14-16(25-27)23-19(24-20(29)21-13-7-4-3-5-8-13)28-18(14)22-17(26-28)15-9-6-11-30-15/h3-9,11-12H,2,10H2,1H3,(H2,21,23,24,25,29) WUHIIHNZITXJEK-UHFFFAOYSA-N 50109481 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL168018::MRE 3055F20 Adenosine receptor A1 Homo sapiens 176 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109481&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11761221 104004431 CHEMBL168018 ZINC13472346 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198351 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H14Cl2N8O2/c1-2-28-9-11-15(26-28)24-18(25-19(30)22-10-5-6-12(20)13(21)8-10)29-17(11)23-16(27-29)14-4-3-7-31-14/h3-9H,2H2,1H3,(H2,22,24,25,26,30) UVJDRLQYFHNJIK-UHFFFAOYSA-N 50109483 1-(3,4-Dichloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3,4-dichlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL164275 Adenosine receptor A1 Homo sapiens 526 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109483&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10863425 104004433 CHEMBL164275 ZINC13472335 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198357 CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19N7O2/c1-2-10-27-13-15-18(25-27)24-21(22-17(29)12-14-7-4-3-5-8-14)28-20(15)23-19(26-28)16-9-6-11-30-16/h3-9,11,13H,2,10,12H2,1H3,(H,22,24,25,29) SVDLLGYVNRRWDR-UHFFFAOYSA-N 50109449 CHEMBL349464::N-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide::N-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide Adenosine receptor A1 Homo sapiens 351.0 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109449&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11784369 104004399 CHEMBL349464 ZINC13472374 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198359 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-11-29-13-14-18(27-29)25-21(26-22(31)23-15-8-5-6-9-16(15)32-2)30-20(14)24-19(28-30)17-10-7-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) BEIRGCYOTBHQCE-UHFFFAOYSA-N 50109470 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxyphenyl)urea::CHEMBL349611 Adenosine receptor A1 Homo sapiens 200 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109470&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11059351 104004420 CHEMBL349611 ZINC13472368 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198360 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-2-3-9-29-12-15-17(27-29)25-20(26-21(31)23-14-7-4-6-13(22)11-14)30-19(15)24-18(28-30)16-8-5-10-32-16/h4-8,10-12H,2-3,9H2,1H3,(H2,23,25,26,27,31) OIVZKXGLPGFSTR-UHFFFAOYSA-N 50094699 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chlorophenyl)urea::CHEMBL423934 Adenosine receptor A1 Homo sapiens 245 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094699&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10647227 103992575 CHEMBL423934 ZINC13472319 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198364 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H16N8O2/c1-2-26-11-13-15(24-26)22-18(23-19(28)20-12-7-4-3-5-8-12)27-17(13)21-16(25-27)14-9-6-10-29-14/h3-11H,2H2,1H3,(H2,20,22,23,24,28) ZFWFVVFEJZLCTO-UHFFFAOYSA-N 50109473 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::CHEMBL352796::MRE 3048F20 Adenosine receptor A1 Homo sapiens 326 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109473&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11728808 104004423 CHEMBL352796 ZINC13472333 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198370 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C21H19N9O4/c1-2-3-10-28-12-15-17(26-28)24-20(29-19(15)23-18(27-29)16-5-4-11-34-16)25-21(31)22-13-6-8-14(9-7-13)30(32)33/h4-9,11-12H,2-3,10H2,1H3,(H2,22,24,25,26,31) IFNPTXPWWYFXLK-UHFFFAOYSA-N 50109467 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitrophenyl)urea::CHEMBL167915 Adenosine receptor A1 Homo sapiens 584 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109467&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10928649 104004417 CHEMBL167915 C02125 ZINC13472363 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198378 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17BrN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30) BZTRALWFDUDZBD-UHFFFAOYSA-N 50109435 1-(4-Bromo-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-bromophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL350205 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109435&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11733556 104004385 CHEMBL350205 ZINC13472352 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198385 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C22H19F3N8O2/c1-2-3-10-32-12-15-17(30-32)28-20(33-19(15)27-18(31-33)16-5-4-11-35-16)29-21(34)26-14-8-6-13(7-9-14)22(23,24)25/h4-9,11-12H,2-3,10H2,1H3,(H2,26,28,29,30,34) SPQHOKINAATLLJ-UHFFFAOYSA-N 50109457 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-trifluoromethyl-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-(trifluoromethyl)phenyl)urea::CHEMBL349954 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109457&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11733601 104004407 CHEMBL349954 ZINC13472367 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198388 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C22H20N8O4/c1-2-3-8-29-11-14-18(27-29)25-21(30-20(14)24-19(28-30)16-5-4-9-32-16)26-22(31)23-13-6-7-15-17(10-13)34-12-33-15/h4-7,9-11H,2-3,8,12H2,1H3,(H2,23,25,26,27,31) FCRUKTDNWPIBOC-UHFFFAOYSA-N 50109484 1-(benzo[d][1,3]dioxol-5-yl)-3-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::1-Benzo[1,3]dioxol-5-yl-3-(8-butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::CHEMBL352192 Adenosine receptor A1 Homo sapiens 410 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109484&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10994183 104004434 CHEMBL352192 ZINC13472362 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198391 Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O2/c1-11-5-7-12(8-6-11)20-19(28)23-18-22-15-13(10-26(2)24-15)17-21-16(25-27(17)18)14-4-3-9-29-14/h3-10H,1-2H3,(H2,20,22,23,24,28) FNOVENHZHXUETK-UHFFFAOYSA-N 50109472 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolyl-urea::CHEMBL351285 Adenosine receptor A1 Homo sapiens 731 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109472&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10905184 104004422 CHEMBL351285 ZINC13472325 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198402 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-13-17(26-28)24-20(25-21(30)22-14-7-4-5-8-15(14)31-2)29-19(13)23-18(27-29)16-9-6-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) ZYQMTELMKXLVHN-UHFFFAOYSA-N 50109489 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxyphenyl)urea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxy-phenyl)-urea::CHEMBL165560 Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109489&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10928182 104004439 CHEMBL165560 ZINC13472355 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198404 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15BrN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) GQNTYJRUQFVQDY-UHFFFAOYSA-N 50109437 1-(4-Bromo-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-bromophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL165600 Adenosine receptor A1 Homo sapiens 500 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109437&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11037972 104004387 CHEMBL165600 ZINC13472339 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198408 COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 InChI=1S/C19H16N8O3/c1-26-10-11-15(24-26)22-18(23-19(28)20-12-6-3-4-7-13(12)29-2)27-17(11)21-16(25-27)14-8-5-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) GXDMHIOIHZQMCR-UHFFFAOYSA-N 50109487 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxy-phenyl)-urea::CHEMBL351211 Adenosine receptor A1 Homo sapiens 450 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109487&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11058550 104004437 CHEMBL351211 ZINC13472329 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198409 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-2-3-10-29-12-15-17(27-29)25-20(26-21(31)23-14-8-6-13(22)7-9-14)30-19(15)24-18(28-30)16-5-4-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31) VSCGUBNFPMURGN-UHFFFAOYSA-N 50109439 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-chloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-chlorophenyl)urea::CHEMBL424161 Adenosine receptor A1 Homo sapiens 300 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109439&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11037739 104004389 CHEMBL424161 ZINC13472371 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198411 COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) AQNRHHRYYOZUOC-UHFFFAOYSA-N 50109474 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxy-phenyl)-urea::CHEMBL164992 Adenosine receptor A1 Homo sapiens 500 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109474&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11811544 104004424 CHEMBL164992 ZINC13472330 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198415 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15FN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) XLPDJMHOTMAAOH-UHFFFAOYSA-N 50109447 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-fluoro-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-fluorophenyl)urea::CHEMBL164685 Adenosine receptor A1 Homo sapiens 602 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109447&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11015003 104004397 CHEMBL164685 ZINC13472340 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198417 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) DSYBQTPGBPZMKO-UHFFFAOYSA-N 50094691 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL329791 Adenosine receptor A1 Homo sapiens 1097 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094691&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9801343 103992567 CHEMBL329791 ZINC13472313 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198418 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-12-16(25-27)23-19(24-20(29)21-13-7-4-5-8-14(13)30-2)28-18(12)22-17(26-28)15-9-6-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) SEJFSOMEWFABFC-UHFFFAOYSA-N 50109452 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxy-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxyphenyl)urea::CHEMBL164647 Adenosine receptor A1 Homo sapiens 300 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109452&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11112543 104004402 CHEMBL164647 ZINC13472342 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198419 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17FN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30) RPJWXCWBXBWFCF-UHFFFAOYSA-N 50109462 1-(4-Fluoro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-fluorophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL165778 Adenosine receptor A1 Homo sapiens 376 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109462&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10971841 104004412 CHEMBL165778 ZINC13472353 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198421 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O2/c1-2-3-11-28-13-15-17(26-28)24-20(25-21(30)22-14-8-5-4-6-9-14)29-19(15)23-18(27-29)16-10-7-12-31-16/h4-10,12-13H,2-3,11H2,1H3,(H2,22,24,25,26,30) WUAXAEHITYFYHE-UHFFFAOYSA-N 50109456 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::CHEMBL349240::MRE 3062F20 Adenosine receptor A1 Homo sapiens 409 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109456&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10905799 104004406 CHEMBL349240 ZINC13472359 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198422 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C18H13ClN8O2/c1-26-9-10-14(24-26)22-17(23-18(28)20-12-6-3-2-5-11(12)19)27-16(10)21-15(25-27)13-7-4-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28) ICNNXGJLOCFASJ-UHFFFAOYSA-N 50109459 1-(2-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(2-chlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL164281 Adenosine receptor A1 Homo sapiens 400 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109459&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10927693 104004409 CHEMBL164281 ZINC13472331 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198424 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-9-28-11-12-16(26-28)24-19(25-20(30)22-14-7-4-3-6-13(14)21)29-18(12)23-17(27-29)15-8-5-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30) WROAGIKDBNSCJU-UHFFFAOYSA-N 50109460 1-(2-Chloro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(2-chlorophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL350042 Adenosine receptor A1 Homo sapiens 300 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109460&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10982985 104004410 CHEMBL350042 ZINC13472357 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198428 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-9-28-12-15-17(26-28)24-20(25-21(30)22-13-6-4-7-14(11-13)31-2)29-19(15)23-18(27-29)16-8-5-10-32-16/h4-8,10-12H,3,9H2,1-2H3,(H2,22,24,25,26,30) RXXQRMSOXJMVBN-UHFFFAOYSA-N 50109463 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxy-phenyl)-urea::CHEMBL350261 Adenosine receptor A1 Homo sapiens 275 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109463&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11133804 104004413 CHEMBL350261 ZINC13472356 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198430 Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28) XMSLNRUNVUAOJS-UHFFFAOYSA-N 50094690 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL344501 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094690&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9822747 103992566 CHEMBL344501 ZINC13472314 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198436 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C20H15F3N8O2/c1-2-30-10-13-15(28-30)26-18(31-17(13)25-16(29-31)14-4-3-9-33-14)27-19(32)24-12-7-5-11(6-8-12)20(21,22)23/h3-10H,2H2,1H3,(H2,24,26,27,28,32) APLSVTYFWKNRKK-UHFFFAOYSA-N 50109444 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-trifluoromethyl-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-(trifluoromethyl)phenyl)urea::CHEMBL165044 Adenosine receptor A1 Homo sapiens 450 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109444&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11826577 104004394 CHEMBL165044 ZINC13472341 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198440 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O2/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-15-9-7-14(2)8-10-15)30-20(16)24-19(28-30)17-6-5-12-32-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) IROKGKLLWZLKKI-UHFFFAOYSA-N 50109438 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolyl-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea::CHEMBL166684 Adenosine receptor A1 Homo sapiens 281.0 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109438&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11732736 104004388 CHEMBL166684 ZINC13472364 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198446 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C19H16N8O5S/c1-2-26-10-13-15(24-26)22-18(27-17(13)21-16(25-27)14-4-3-9-32-14)23-19(28)20-11-5-7-12(8-6-11)33(29,30)31/h3-10H,2H2,1H3,(H,29,30,31)(H2,20,22,23,24,28) JZZSDHBUYACBNN-UHFFFAOYSA-N 50109488 4-(3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[({[8-ethyl-2-(2-furyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino}carbonyl)amino]benzenesulfonic acid::4-[3-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL164867 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109488&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11762418 104004438 CHEMBL164867 ZINC13472334 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198447 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C21H17F3N8O2/c1-2-9-31-11-14-16(29-31)27-19(32-18(14)26-17(30-32)15-4-3-10-34-15)28-20(33)25-13-7-5-12(6-8-13)21(22,23)24/h3-8,10-11H,2,9H2,1H3,(H2,25,27,28,29,33) BEIXNFXNDHJWAK-UHFFFAOYSA-N 50109479 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-(trifluoromethyl)phenyl)urea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-trifluoromethyl-phenyl)-urea::CHEMBL164509 Adenosine receptor A1 Homo sapiens 400 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109479&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10994317 104004429 CHEMBL164509 ZINC13472354 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198456 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A1 Homo sapiens 594 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198459 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13BrN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28) ICVHZJCIDVQQJU-UHFFFAOYSA-N 50109477 1-(4-Bromo-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-bromophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL348925 Adenosine receptor A1 Homo sapiens 600 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109477&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11144868 104004427 CHEMBL348925 ZINC13472326 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198465 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O5S/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(27)19-10-4-6-11(7-5-10)32(28,29)30/h2-9H,1H3,(H,28,29,30)(H2,19,21,22,23,27) BXKRONFNAOPLMU-UHFFFAOYSA-N 50109450 4-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL324512 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109450&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9803992 104004400 CHEMBL324512 ZINC13472321 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198472 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) GPHJHOZYSNRISC-UHFFFAOYSA-N 50109455 1-(4-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL352073 Adenosine receptor A1 Homo sapiens 400 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109455&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11122708 104004405 CHEMBL352073 ZINC13472345 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198474 CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17N7O2/c1-2-26-12-14-17(24-26)23-20(21-16(28)11-13-7-4-3-5-8-13)27-19(14)22-18(25-27)15-9-6-10-29-15/h3-10,12H,2,11H2,1H3,(H,21,23,24,28) GXSUORPDPIUXJS-UHFFFAOYSA-N 50109482 CHEMBL165073::N-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide::N-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide Adenosine receptor A1 Homo sapiens 714.0 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109482&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10971099 104004432 CHEMBL165073 ZINC13472373 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50198478 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-4-7-13(10-12)30-2)28-18(14)22-17(26-28)15-8-5-9-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) LHFQFJWTQJNDSV-UHFFFAOYSA-N 50109466 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxy-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea::CHEMBL164381 Adenosine receptor A1 Homo sapiens 400 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10971806 104004416 CHEMBL164381 ZINC13472343 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50214248 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1 InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28) FLGSUSWMWSZVMP-UHFFFAOYSA-N 50326218 CHEMBL1242923::N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]-piperidin-4-yl}-2-phenylacetamide Adenosine receptor A1 Homo sapiens <1000 ChEMBL 10.1021/jm100697g 10.7270/Q2765G9K 20684563 Sams, AG; Hentzer, M; Mikkelsen, GK; Larsen, K; Bundgaard, C; Plath, N; Christoffersen, CT; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326218&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44207909 123105333 CHEMBL1242923 5435 ZINC64573958 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50214250 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3 ANTKBACNWQHQJE-UHFFFAOYSA-N 50326219 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one::CHEMBL1242950::CHEMBL2206334 Adenosine receptor A1 Homo sapiens <1000 ChEMBL 10.1021/jm100697g 10.7270/Q2765G9K 20684563 Sams, AG; Hentzer, M; Mikkelsen, GK; Larsen, K; Bundgaard, C; Plath, N; Christoffersen, CT; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326219&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9948320 123105334 CHEMBL2206334CHEMBL1242950 289 ZINC02022527 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210973 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12 InChI=1S/C22H25ClN6O5/c1-24-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(23)28-19(14)29)25-8-10-6-11(33-2)4-5-13(10)34-3/h4-6,9,12,15-17,30-31H,7-8H2,1-3H3,(H,24,32)(H,25,27,28)/t12-,15-,16+,17+,22-/m1/s1 ABUUWIZJEMSEFP-KYOARWNFSA-N 50163014 (1S,2R,3S,4R,5S)-4-(6-(2,5-dimethoxybenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(2,5-dimethoxybenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL178846 Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2008.04.001 10.7270/Q2XK8GFH 18424135 Melman, A; Gao, ZG; Kumar, D; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163014&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71456194 104049107 CHEMBL178846 ZINC13611550 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50217765 CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26) XJLGXHIRSHTRPQ-UHFFFAOYSA-N 50039676 4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester::4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester(FSCPX)::CHEMBL327708 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1016/s0960-894x(02)00639-x 10.7270/Q24F1Q29 12372528 Beauglehole, AR; Baker, SP; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039676&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 133012 103946871 CHEMBL327708 ZINC08034243 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50217773 CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 InChI=1S/C24H29FN4O5S/c1-2-14-29-23(31)20-22(27-21(26-20)17-7-3-4-8-17)28(24(29)32)15-6-5-9-19(30)16-10-12-18(13-11-16)35(25,33)34/h10-13,17H,2-9,14-15H2,1H3,(H,26,27) JDDRQMHCGUXFQL-UHFFFAOYSA-N 50120222 4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-pentanoyl]-benzenesulfonyl fluoride::CHEMBL107499 Adenosine receptor A1 Homo sapiens 8.7 ChEMBL 10.1016/s0960-894x(02)00639-x 10.7270/Q24F1Q29 12372528 Beauglehole, AR; Baker, SP; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120222&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10413798 104013343 CHEMBL107499 ZINC36123974 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50215467 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1 LZPZPHGJDAGEJZ-AKAIJSEGSA-N 50119132 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide::CHEMBL317052::REGADENOSON Adenosine receptor A1 Homo sapiens >16460000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119132&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 219024 104012380 CHEMBL317052 DB06213 5596 ZINC13818943 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211132 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCO)nc(Cl)nc12 InChI=1S/C23H23ClN6O4/c1-25-21(34)23-9-14(23)16(17(32)18(23)33)30-11-27-15-19(28-22(24)29-20(15)30)26-10-13-5-2-4-12(8-13)6-3-7-31/h2,4-5,8,11,14,16-18,31-33H,7,9-10H2,1H3,(H,25,34)(H,26,28,29)/t14-,16-,17+,18+,23-/m1/s1 INPIRGBAZWMHDG-LIGBSTKKSA-N 50163017 (1S,2R,3S,4R,5S)-4-(6-(3-(3-hydroxyprop-1-ynyl)benzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-{2-chloro-6-[3-(3-hydroxy-1-propynyl)benzylamino]-9H-9-purinyl}-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL178644 Adenosine receptor A1 Homo sapiens 2600 ChEMBL 10.1016/j.bmcl.2008.04.001 10.7270/Q2XK8GFH 18424135 Melman, A; Gao, ZG; Kumar, D; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163017&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71449066 104049110 CHEMBL178644 ZINC13611555 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211133 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12 InChI=1S/C21H23ClN6O3S/c1-23-19(31)21-7-12(21)14(15(29)16(21)30)28-9-25-13-17(26-20(32-2)27-18(13)28)24-8-10-4-3-5-11(22)6-10/h3-6,9,12,14-16,29-30H,7-8H2,1-2H3,(H,23,31)(H,24,26,27)/t12-,14-,15+,16+,21-/m1/s1 TUKMYFNCYLCVRZ-YIVQXCEWSA-N 50163027 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-(methylthio)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[6-(3-chlorobenzylamino)-2-methylsulfanyl-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175814 Adenosine receptor A1 Homo sapiens 610 ChEMBL 10.1016/j.bmcl.2008.04.001 10.7270/Q2XK8GFH 18424135 Melman, A; Gao, ZG; Kumar, D; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163027&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71457990 104049120 CHEMBL175814 ZINC13611569 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211134 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3c3ccccc3)nc(Cl)nc12 InChI=1S/C22H23ClN6O3/c1-24-20(32)22-8-12(22)15(16(30)17(22)31)29-9-25-14-18(27-21(23)28-19(14)29)26-13-7-11(13)10-5-3-2-4-6-10/h2-6,9,11-13,15-17,30-31H,7-8H2,1H3,(H,24,32)(H,26,27,28)/t11?,12-,13?,15-,16+,17+,22-/m1/s1 VAIQCVDAELUCHP-AGUANMGMSA-N 50163004 (1S,2R,3S,4R,5S)-4-(2-chloro-6-(2-phenylcyclopropylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(2-phenylcyclopropylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL411861 Adenosine receptor A1 Homo sapiens 770 ChEMBL 10.1016/j.bmcl.2008.04.001 10.7270/Q2XK8GFH 18424135 Melman, A; Gao, ZG; Kumar, D; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163004&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71456195 104049097 CHEMBL411861 ZINC13611564 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210461 CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3 LDLBAAURBBVHGB-UHFFFAOYSA-N 50116370 1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL322250 Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116370&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10359522 104010118 CHEMBL322250 ZINC13475098 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210463 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3 ZOGPOQHYQBSBBL-UHFFFAOYSA-N 50116368 1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL113634 Adenosine receptor A1 Homo sapiens 179 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116368&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11035880 104010116 CHEMBL113634 ZINC13475099 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210465 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C InChI=1S/C23H26N4O2/c1-5-12-26-21(28)19-20(27(22(26)29)15-16-9-7-6-8-10-16)24-18-14-17(23(2,3)4)11-13-25(18)19/h6-11,13-14H,5,12,15H2,1-4H3 GWMULTMVYLNOQD-UHFFFAOYSA-N 50116372 1-Benzyl-7-tert-butyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL112098 Adenosine receptor A1 Homo sapiens 1460 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116372&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11090423 104010120 CHEMBL112098 ZINC13475100 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210468 CCCn1c(=O)n(Cc2ccc(OC)cc2)c2nc3ccccn3c2c1=O InChI=1S/C20H20N4O3/c1-3-11-23-19(25)17-18(21-16-6-4-5-12-22(16)17)24(20(23)26)13-14-7-9-15(27-2)10-8-14/h4-10,12H,3,11,13H2,1-2H3 JPPAYBUEEOVLPP-UHFFFAOYSA-N 50116375 1-(4-Methoxy-benzyl)-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL326757 Adenosine receptor A1 Homo sapiens 83 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116375&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11013957 104010123 CHEMBL326757 ZINC13475113 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210471 CCCn1c(=O)n(C)c2nc3ccccn3c2c1=O InChI=1S/C13H14N4O2/c1-3-7-17-12(18)10-11(15(2)13(17)19)14-9-6-4-5-8-16(9)10/h4-6,8H,3,7H2,1-2H3 PUHQULGBXGXREB-UHFFFAOYSA-N 50116376 1-Methyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL112194 Adenosine receptor A1 Homo sapiens 2100 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116376&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11747281 104010124 CHEMBL112194 ZINC13475112 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210473 CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O InChI=1S/C18H16N4O2/c1-2-20-17(23)15-16(19-14-10-6-7-11-21(14)15)22(18(20)24)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3 YEHUFKUQNJXVNS-UHFFFAOYSA-N 50116379 1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL113512 Adenosine receptor A1 Homo sapiens 325 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116379&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11056301 104010127 CHEMBL113512 ZINC13475102 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210484 CC(C)Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O InChI=1S/C20H20N4O2/c1-14(2)12-24-19(25)17-18(21-16-10-6-7-11-22(16)17)23(20(24)26)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3 OHCQNJXYKBFSGX-UHFFFAOYSA-N 50116382 1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL323717 Adenosine receptor A1 Homo sapiens 28 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116382&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11046285 104010130 CHEMBL323717 ZINC13475104 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210486 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C InChI=1S/C19H14N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h1,3-10,12H,11,13H2 IEYFOMQJJXPYHX-UHFFFAOYSA-N 50116373 1-Benzyl-3-prop-2-ynyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL326319 Adenosine receptor A1 Homo sapiens 124 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116373&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11099564 104010121 CHEMBL326319 ZINC13475107 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50210491 C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O InChI=1S/C19H16N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2 QZTNGJKCJJXWQM-UHFFFAOYSA-N 50116371 3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL114832 Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116371&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9974009 104010119 CHEMBL114832 ZINC13475106 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211608 Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27) KHRCLUNNZRRZTF-UHFFFAOYSA-N 50117109 1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-pyridin-4-yl-urea::5-[[(4-pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL332091 Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1021/jm020974x 10.7270/Q2SN08B3 12166930 Maconi, A; Pastorin, G; Da Ros, T; Spalluto, G; Gao, ZG; Jacobson, KA; Baraldi, PG; Cacciari, B; Varani, K; Moro, S; Borea, PA TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117109&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9887859 104010722 CHEMBL332091 ZINC13475415 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211618 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A1 Homo sapiens 594 ChEMBL 10.1021/jm020974x 10.7270/Q2SN08B3 12166930 Maconi, A; Pastorin, G; Da Ros, T; Spalluto, G; Gao, ZG; Jacobson, KA; Baraldi, PG; Cacciari, B; Varani, K; Moro, S; Borea, PA TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211623 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O5S/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(27)19-10-4-6-11(7-5-10)32(28,29)30/h2-9H,1H3,(H,28,29,30)(H2,19,21,22,23,27) BXKRONFNAOPLMU-UHFFFAOYSA-N 50109450 4-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL324512 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm020974x 10.7270/Q2SN08B3 12166930 Maconi, A; Pastorin, G; Da Ros, T; Spalluto, G; Gao, ZG; Jacobson, KA; Baraldi, PG; Cacciari, B; Varani, K; Moro, S; Borea, PA TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109450&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9803992 104004400 CHEMBL324512 ZINC13472321 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211625 Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1 InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1 KHRCLUNNZRRZTF-UHFFFAOYSA-O 50117108 4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-pyridinium; chloride::5-[[(4-pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine hydrochloride::CHEMBL118923 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm020974x 10.7270/Q2SN08B3 12166930 Maconi, A; Pastorin, G; Da Ros, T; Spalluto, G; Gao, ZG; Jacobson, KA; Baraldi, PG; Cacciari, B; Varani, K; Moro, S; Borea, PA TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117108&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10905713 104010721 CHEMBL118923 ZINC13475415 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50218420 COc1cc(ccc1O)[C@H]1OC[C@](O)(Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)[C@@H]1COC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C38H54O22/c1-52-21-8-17(4-5-19(21)42)33-18(12-54-13-25-28(45)34(50)38(14-41,59-25)60-36-32(49)30(47)27(44)24(11-40)58-36)37(51,15-55-33)9-16-3-6-20(22(7-16)53-2)56-35-31(48)29(46)26(43)23(10-39)57-35/h3-8,18,23-36,39-51H,9-15H2,1-2H3/t18-,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34+,35-,36-,37-,38+/m1/s1 NVEGRZMDXHGAHQ-ZBBDYMFJSA-N 50260210 4'-O-beta-D-glucosyl-9-O-(6' '-deoxysaccharosyl)olivil::CHEMBL501388 Adenosine receptor A1 Homo sapiens 26 ChEMBL 10.1021/np010464q 10.7270/Q2JM29C6 12398547 Schumacher, B; Scholle, S; Holzl, J; Khudeir, N; Hess, S; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50260210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50260210&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21591949 104109981 CHEMBL501388 C03400 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50218421 COc1cc(ccc1O)[C@H]1OC[C@](O)(Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)[C@@H]1COC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C38H54O22/c1-52-21-8-17(4-5-19(21)42)33-18(12-54-13-25-28(45)34(50)38(14-41,59-25)60-36-32(49)30(47)27(44)24(11-40)58-36)37(51,15-55-33)9-16-3-6-20(22(7-16)53-2)56-35-31(48)29(46)26(43)23(10-39)57-35/h3-8,18,23-36,39-51H,9-15H2,1-2H3/t18-,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34+,35-,36-,37-,38+/m1/s1 NVEGRZMDXHGAHQ-ZBBDYMFJSA-N 50260210 4'-O-beta-D-glucosyl-9-O-(6' '-deoxysaccharosyl)olivil::CHEMBL501388 Adenosine receptor A1 Homo sapiens 23600 ChEMBL 10.1021/np010464q 10.7270/Q2JM29C6 12398547 Schumacher, B; Scholle, S; Holzl, J; Khudeir, N; Hess, S; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50260210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50260210&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21591949 104109981 CHEMBL501388 C03400 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50218424 COc1cc(ccc1O)[C@H]1OC[C@](O)(Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)[C@@H]1COC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C38H54O22/c1-52-21-8-17(4-5-19(21)42)33-18(12-54-13-25-28(45)34(50)38(14-41,59-25)60-36-32(49)30(47)27(44)24(11-40)58-36)37(51,15-55-33)9-16-3-6-20(22(7-16)53-2)56-35-31(48)29(46)26(43)23(10-39)57-35/h3-8,18,23-36,39-51H,9-15H2,1-2H3/t18-,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34+,35-,36-,37-,38+/m1/s1 NVEGRZMDXHGAHQ-ZBBDYMFJSA-N 50260210 4'-O-beta-D-glucosyl-9-O-(6' '-deoxysaccharosyl)olivil::CHEMBL501388 Adenosine receptor A1 Homo sapiens 31000 ChEMBL 10.1021/np010464q 10.7270/Q2JM29C6 12398547 Schumacher, B; Scholle, S; Holzl, J; Khudeir, N; Hess, S; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50260210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50260210&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21591949 104109981 CHEMBL501388 C03400 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211781 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22) IOICVMMVGWPRCC-UHFFFAOYSA-N 50117215 5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123705 Adenosine receptor A1 Homo sapiens 4 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117215&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9863684 104010790 CHEMBL123705 ZINC13475521 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211789 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1 InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21) ODRIUSPRMZPRHG-UHFFFAOYSA-N 50117216 5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL333860 Adenosine receptor A1 Homo sapiens 32 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117216&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9884776 104010791 CHEMBL333860 ZINC13475528 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211799 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A1 Homo sapiens 1200 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211821 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1 InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20) JSVCNDDQYUWICG-UHFFFAOYSA-N 50117222 5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122819 Adenosine receptor A1 Homo sapiens 413 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117222&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10065588 104010797 CHEMBL122819 ZINC13475527 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211837 COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12 InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3 MLNHYWWTTFZRTB-UHFFFAOYSA-N 50059375 5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimidin-7-one::CHEMBL89472 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059375&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9881967 103955216 CHEMBL89472 ZINC13475532 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211843 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20) KYKFWXJBEABAMM-UHFFFAOYSA-N 50117239 CHEMBL123462::[4-(5-Butyl-3H-[1,2,4]triazolo[5,1-i]purin-8-yl)-phenyl]-dimethyl-amine Adenosine receptor A1 Homo sapiens 1310 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117239&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11142249 104010814 CHEMBL123462 ZINC13475531 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50211853 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19) MQQDQTRQZFWLNZ-UHFFFAOYSA-N 50117223 5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL331111 Adenosine receptor A1 Homo sapiens 398 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117223&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10358755 104010798 CHEMBL331111 ZINC13475526 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50222974 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 InChI=1S/C12H16N6O4/c1-13-9-5-10(16-3-15-9)18(4-17-5)12-7(20)6(19)8(22-12)11(21)14-2/h3-4,6-8,12,19-20H,1-2H3,(H,14,21)(H,13,15,16)/t6-,7+,8-,12+/m0/s1 NTQYWAFBAOISIM-FLNNQWSLSA-N 50122927 (2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide::3,4-Dihydroxy-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL413507 Adenosine receptor A1 Homo sapiens 65 ChEMBL 10.1021/jm0255724 10.7270/Q2416WDM 12540233 DeNinno, MP; Masamune, H; Chenard, LK; DiRico, KJ; Eller, C; Etienne, JB; Tickner, JE; Kennedy, SP; Knight, DR; Kong, J; Oleynek, JJ; Tracey, WR; Hill, RJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50122927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50122927&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11808994 104015545 CHEMBL413507 ZINC13493057 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50222975 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/jm0255724 10.7270/Q2416WDM 12540233 DeNinno, MP; Masamune, H; Chenard, LK; DiRico, KJ; Eller, C; Etienne, JB; Tickner, JE; Kennedy, SP; Knight, DR; Kong, J; Oleynek, JJ; Tracey, WR; Hill, RJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50222980 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1 PKUZHLZHLVHAIO-QYUDBREXSA-N 50122926 3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylmethoxy)-benzylamino]-purin-9-yl}-4-hydroxy-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL116878 Adenosine receptor A1 Homo sapiens 7300 ChEMBL 10.1021/jm0255724 10.7270/Q2416WDM 12540233 DeNinno, MP; Masamune, H; Chenard, LK; DiRico, KJ; Eller, C; Etienne, JB; Tickner, JE; Kennedy, SP; Knight, DR; Kong, J; Oleynek, JJ; Tracey, WR; Hill, RJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50122926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50122926&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9828356 104015544 CHEMBL116878 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50222981 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 InChI=1S/C23H24ClN7O6/c1-11-5-14(37-30-11)8-35-15-4-3-13(24)6-12(15)7-26-20-16-21(28-9-27-20)31(10-29-16)23-18(33)17(32)19(36-23)22(34)25-2/h3-6,9-10,17-19,23,32-33H,7-8H2,1-2H3,(H,25,34)(H,26,27,28)/t17-,18+,19-,23+/m0/s1 CQSHLVXKYIDMBX-QPXQOZNCSA-N 50122928 5-{6-[5-Chloro-2-(3-methyl-isoxazol-5-ylmethoxy)-benzylamino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL327039 Adenosine receptor A1 Homo sapiens 68 ChEMBL 10.1021/jm0255724 10.7270/Q2416WDM 12540233 DeNinno, MP; Masamune, H; Chenard, LK; DiRico, KJ; Eller, C; Etienne, JB; Tickner, JE; Kennedy, SP; Knight, DR; Kong, J; Oleynek, JJ; Tracey, WR; Hill, RJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50122928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50122928&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10885937 104015546 CHEMBL327039 ZINC27109070 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50222982 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A1 Homo sapiens 99 ChEMBL 10.1021/jm0255724 10.7270/Q2416WDM 12540233 DeNinno, MP; Masamune, H; Chenard, LK; DiRico, KJ; Eller, C; Etienne, JB; Tickner, JE; Kennedy, SP; Knight, DR; Kong, J; Oleynek, JJ; Tracey, WR; Hill, RJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50222983 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NC)ncnc12 InChI=1S/C12H17N7O3/c1-14-9-6-10(17-3-16-9)19(4-18-6)12-7(20)5(13)8(22-12)11(21)15-2/h3-5,7-8,12,20H,13H2,1-2H3,(H,15,21)(H,14,16,17)/t5-,7+,8-,12+/m0/s1 YRQPFXUCXVGNQQ-HIFLKKFUSA-N 50122930 (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-(6-(methylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide::3-Amino-4-hydroxy-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL118507 Adenosine receptor A1 Homo sapiens 23000 ChEMBL 10.1021/jm0255724 10.7270/Q2416WDM 12540233 DeNinno, MP; Masamune, H; Chenard, LK; DiRico, KJ; Eller, C; Etienne, JB; Tickner, JE; Kennedy, SP; Knight, DR; Kong, J; Oleynek, JJ; Tracey, WR; Hill, RJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50122930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50122930&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9922606 104015548 CHEMBL118507 ZINC13493058 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50222985 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H20IN7O3/c1-21-17(28)14-11(20)13(27)18(29-14)26-8-25-12-15(23-7-24-16(12)26)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,27H,6,20H2,1H3,(H,21,28)(H,22,23,24)/t11-,13+,14-,18+/m0/s1 IMLVDZRNXHKROA-MHMFGPJMSA-N 50122929 3-Amino-4-hydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL334221 Adenosine receptor A1 Homo sapiens 4600 ChEMBL 10.1021/jm0255724 10.7270/Q2416WDM 12540233 DeNinno, MP; Masamune, H; Chenard, LK; DiRico, KJ; Eller, C; Etienne, JB; Tickner, JE; Kennedy, SP; Knight, DR; Kong, J; Oleynek, JJ; Tracey, WR; Hill, RJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50122929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50122929&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44344926 104015547 CHEMBL334221 ZINC13493056 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50214128 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3 ANTKBACNWQHQJE-UHFFFAOYSA-N 50326219 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one::CHEMBL1242950::CHEMBL2206334 Adenosine receptor A1 Homo sapiens <1000 ChEMBL 10.1021/jm100697g 10.7270/Q2765G9K 20684563 Sams, AG; Hentzer, M; Mikkelsen, GK; Larsen, K; Bundgaard, C; Plath, N; Christoffersen, CT; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326219&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9948320 123105334 CHEMBL2206334CHEMBL1242950 289 ZINC02022527 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50214131 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1 InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28) FLGSUSWMWSZVMP-UHFFFAOYSA-N 50326218 CHEMBL1242923::N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]-piperidin-4-yl}-2-phenylacetamide Adenosine receptor A1 Homo sapiens <1000 ChEMBL 10.1021/jm100697g 10.7270/Q2765G9K 20684563 Sams, AG; Hentzer, M; Mikkelsen, GK; Larsen, K; Bundgaard, C; Plath, N; Christoffersen, CT; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326218&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44207909 123105333 CHEMBL1242923 5435 ZINC64573958 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50231676 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3 KKDKAWKYGCUOGR-UHFFFAOYSA-N 50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723 Adenosine receptor A1 Homo sapiens 8400 ChEMBL 10.1021/jm020295m 10.7270/Q2FJ2G5Z 12723950 Lutjens, H; Zickgraf, A; Figler, H; Linden, J; Olsson, RA; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122028 103980705 CHEMBL59532 ZINC02379515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50231677 Nc1sc(Br)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F InChI=1S/C18H11BrF3NOS/c19-16-13(11-7-4-8-12(9-11)18(20,21)22)14(17(23)25-16)15(24)10-5-2-1-3-6-10/h1-9H,23H2 BNBSJESRUXAAQX-UHFFFAOYSA-N 50127510 CHEMBL54461::[2-Amino-5-bromo-4-(3-trifluoromethyl-phenyl)-thiophen-3-yl]-phenyl-methanone::[2-amino-5-bromo-4-(3-(trifluoromethyl)phenyl)thiophen-3-yl]phenyl methanone Adenosine receptor A1 Homo sapiens 6360.0 ChEMBL 10.1021/jm020295m 10.7270/Q2FJ2G5Z 12723950 Lutjens, H; Zickgraf, A; Figler, H; Linden, J; Olsson, RA; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127510&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10342391 104019395 CHEMBL54461 ZINC13518377 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50232978 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A1 Homo sapiens 15 ChEMBL 10.1021/jm5008853 10.7270/Q2SQ91ZC 25181013 Romagnoli, R; Baraldi, PG; IJzerman, AP; Massink, A; Cruz-Lopez, O; Lopez-Cara, LC; Saponaro, G; Preti, D; Aghazadeh Tabrizi, M; Baraldi, S; Moorman, AR; Vincenzi, F; Borea, PA; Varani, K Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50232979 CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccccc1 InChI=1S/C24H22ClNOS/c1-24(2,3)15-19-20(14-9-16-7-5-4-6-8-16)28-23(26)21(19)22(27)17-10-12-18(25)13-11-17/h4-8,10-13H,15,26H2,1-3H3 IOXKZTKWCOVDBE-UHFFFAOYSA-N 50024563 CHEMBL3330574 Adenosine receptor A1 Homo sapiens 0.460000 ChEMBL 10.1021/jm5008853 10.7270/Q2SQ91ZC 25181013 Romagnoli, R; Baraldi, PG; IJzerman, AP; Massink, A; Cruz-Lopez, O; Lopez-Cara, LC; Saponaro, G; Preti, D; Aghazadeh Tabrizi, M; Baraldi, S; Moorman, AR; Vincenzi, F; Borea, PA; Varani, K Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50024563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50024563&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 101882375 313064901 CHEMBL3330574 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50232980 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3 KKDKAWKYGCUOGR-UHFFFAOYSA-N 50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723 Adenosine receptor A1 Homo sapiens 0.750000 ChEMBL 10.1021/jm5008853 10.7270/Q2SQ91ZC 25181013 Romagnoli, R; Baraldi, PG; IJzerman, AP; Massink, A; Cruz-Lopez, O; Lopez-Cara, LC; Saponaro, G; Preti, D; Aghazadeh Tabrizi, M; Baraldi, S; Moorman, AR; Vincenzi, F; Borea, PA; Varani, K Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122028 103980705 CHEMBL59532 ZINC02379515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50236821 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A1 Homo sapiens 380 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50236823 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C31H35N9O9/c1-3-33-29(45)26-24(43)25(44)30(49-26)39-15-35-23-27(32)37-31(38-28(23)39)34-13-12-18-6-4-17(5-7-18)8-11-22(42)36-19-9-10-21(48-16(2)41)20(14-19)40(46)47/h4-7,9-10,14-15,24-26,30,43-44H,3,8,11-13H2,1-2H3,(H,33,45)(H,36,42)(H3,32,34,37,38)/t24-,25+,26-,30+/m0/s1 FDVZSKDDSYLYNX-YRIIQKNPSA-N 50026816 CHEMBL3335523 Adenosine receptor A1 Homo sapiens 500 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026816&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118714540 103936400 CHEMBL3335523 ZINC28227903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50236833 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(O)c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C29H33N9O8/c1-2-31-27(43)24-22(41)23(42)28(46-24)37-14-33-21-25(30)35-29(36-26(21)37)32-12-11-16-5-3-15(4-6-16)7-10-20(40)34-17-8-9-19(39)18(13-17)38(44)45/h3-6,8-9,13-14,22-24,28,39,41-42H,2,7,10-12H2,1H3,(H,31,43)(H,34,40)(H3,30,32,35,36)/t22-,23+,24-,28+/m0/s1 UXTWNGBPJFUVIK-NLJXWPIHSA-N 50026817 CHEMBL3335526 Adenosine receptor A1 Homo sapiens 1890 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026817&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118714543 103936401 CHEMBL3335526 ZINC28229039 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50255145 C\N=c1/nc(-c2ccccc2)n(s1)-c1cccc(C)c1 InChI=1S/C16H15N3S/c1-12-7-6-10-14(11-12)19-15(18-16(17-2)20-19)13-8-4-3-5-9-13/h3-11H,1-2H3/b17-16+ CLDGOQBKIYWYSE-WUKNDPDISA-N 50138941 CHEMBL351012::Methyl-[3-phenyl-2-m-tolyl-2H-[1,2,4]thiadiazol-(5E)-ylidene]-amine Adenosine receptor A1 Homo sapiens 640 ChEMBL 10.1021/jm030863d 10.7270/Q2XG9QJ3 14736246 van den Nieuwendijk, AM; Pietra, D; Heitman, L; Goblyos, A; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138941&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10016584 104028933 CHEMBL351012 ZINC38148144 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50255146 C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 InChI=1S/C15H13N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3/b16-15+ FFUBTEITUNMMOK-FOCLMDBBSA-N 60981 (2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-methyl-amine;hydrobromide::CHEMBL161867::MLS002153327::N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide::SCH-202676 hydrobromide::SMR001230740::cid_11957689 Adenosine receptor A1 Homo sapiens 2800 ChEMBL 10.1021/jm030863d 10.7270/Q2XG9QJ3 14736246 van den Nieuwendijk, AM; Pietra, D; Heitman, L; Goblyos, A; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60981&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 682802 252640153 CHEMBL161867 ZINC00041847 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50255147 COc1ccc(cc1)-n1s\c(=N\C)nc1-c1ccccc1 InChI=1S/C16H15N3OS/c1-17-16-18-15(12-6-4-3-5-7-12)19(21-16)13-8-10-14(20-2)11-9-13/h3-11H,1-2H3/b17-16+ OSJMIGUSUGUOSF-WUKNDPDISA-N 50138943 CHEMBL161767::[2-(4-Methoxy-phenyl)-3-phenyl-2H-[1,2,4]thiadiazol-(5E)-ylidene]-methyl-amine Adenosine receptor A1 Homo sapiens 2400 ChEMBL 10.1021/jm030863d 10.7270/Q2XG9QJ3 14736246 van den Nieuwendijk, AM; Pietra, D; Heitman, L; Goblyos, A; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138943&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10469918 104028935 CHEMBL161767 ZINC13559289 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50255148 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1021/jm030863d 10.7270/Q2XG9QJ3 14736246 van den Nieuwendijk, AM; Pietra, D; Heitman, L; Goblyos, A; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50255149 CC\N=c1/nc(-c2ccc(C)cc2)n(s1)-c1ccc(C)cc1 InChI=1S/C18H19N3S/c1-4-19-18-20-17(15-9-5-13(2)6-10-15)21(22-18)16-11-7-14(3)8-12-16/h5-12H,4H2,1-3H3/b19-18+ VHMAWSDZUGOZGM-VHEBQXMUSA-N 50138944 CHEMBL351194::[2,3-Di-p-tolyl-2H-[1,2,4]thiadiazol-(5E)-ylidene]-ethyl-amine Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1021/jm030863d 10.7270/Q2XG9QJ3 14736246 van den Nieuwendijk, AM; Pietra, D; Heitman, L; Goblyos, A; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138944&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10086671 104028936 CHEMBL351194 ZINC13559288 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243738 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22) PUYNLRZJFOQWRV-UHFFFAOYSA-N 50051234 2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL16867::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051234&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10246959 103948232 CHEMBL16867 ZINC12405951 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243741 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C23H23N7O2/c1-15(2)10-11-29-14-17-20(27-29)26-23(24-19(31)13-16-7-4-3-5-8-16)30-22(17)25-21(28-30)18-9-6-12-32-18/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,24,26,27,31) MXFWGZWWOLYNTJ-UHFFFAOYSA-N 50133362 CHEMBL132806::N-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenyl-acetamide Adenosine receptor A1 Homo sapiens 200 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133362&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11080491 104024193 CHEMBL132806 ZINC13527365 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243742 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27) UYEQIRAILMVJGC-UHFFFAOYSA-N 50109453 CHEMBL341376::N-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide::N-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A1 Homo sapiens 702.0 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109453&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11014188 104004403 CHEMBL341376 ZINC13472372 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243744 O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C27H23N7O3/c35-23(18-37-20-12-5-2-6-13-20)28-27-30-24-21(26-29-25(32-34(26)27)22-14-8-16-36-22)17-33(31-24)15-7-11-19-9-3-1-4-10-19/h1-6,8-10,12-14,16-17H,7,11,15,18H2,(H,28,30,31,35) DSJNSMNLGNQEBL-UHFFFAOYSA-N 50133365 CHEMBL138593::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133365&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11027412 104024196 CHEMBL138593 ZINC13527388 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243745 O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C27H23N7O2/c35-23(17-20-11-5-2-6-12-20)28-27-30-24-21(26-29-25(32-34(26)27)22-14-8-16-36-22)18-33(31-24)15-7-13-19-9-3-1-4-10-19/h1-6,8-12,14,16,18H,7,13,15,17H2,(H,28,30,31,35) BWLSCOHOGMFEIU-UHFFFAOYSA-N 50133364 CHEMBL134566::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenyl-acetamide Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133364&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11733496 104024195 CHEMBL134566 ZINC13527371 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243746 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 InChI=1S/C27H25N7O2/c1-17(2)12-13-33-16-21-24(31-33)30-27(34-26(21)29-25(32-34)22-11-6-14-36-22)28-23(35)15-19-9-5-8-18-7-3-4-10-20(18)19/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,28,30,31,35) NVIJFOMRABGFQA-UHFFFAOYSA-N 50133360 CHEMBL336217::N-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-naphthalen-1-yl-acetamide Adenosine receptor A1 Homo sapiens 142 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133360&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10906943 104024191 CHEMBL336217 ZINC13527375 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243752 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A1 Homo sapiens 594 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243754 O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C26H21N7O3/c34-22(17-36-19-10-5-2-6-11-19)27-26-29-23-20(16-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15-16H,13-14,17H2,(H,27,29,30,34) PXLNNXUUFHRPRE-UHFFFAOYSA-N 50133367 CHEMBL341777::N-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenoxy-acetamide Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133367&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11826924 104024198 CHEMBL341777 ZINC13527385 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243757 O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39) OOTVLKSCGYKBDY-UHFFFAOYSA-N 50133368 CHEMBL335950::N-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-(naphthalen-1-yl)acetamide::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-naphthalen-1-yl-acetamide Adenosine receptor A1 Homo sapiens 1100 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133368&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10007115 104024199 CHEMBL335950 ZINC27425704 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243761 O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C30H23N7O2/c38-26(18-22-12-6-11-21-10-4-5-13-23(21)22)31-30-33-27-24(19-36(34-27)16-15-20-8-2-1-3-9-20)29-32-28(35-37(29)30)25-14-7-17-39-25/h1-14,17,19H,15-16,18H2,(H,31,33,34,38) ZWOVBVVGJSVBEE-UHFFFAOYSA-N 50133366 CHEMBL135719::N-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-naphthalen-1-yl-acetamide Adenosine receptor A1 Homo sapiens 90 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133366&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11762982 104024197 CHEMBL135719 ZINC13527379 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243769 CC(C)CCn1cc2c(n1)nc(NC(=O)COc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C23H23N7O3/c1-15(2)10-11-29-13-17-20(27-29)26-23(24-19(31)14-33-16-7-4-3-5-8-16)30-22(17)25-21(28-30)18-9-6-12-32-18/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,26,27,31) GOYAQHRLQPUEKB-UHFFFAOYSA-N 50133361 CHEMBL435022::N-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A1 Homo sapiens 55 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133361&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10895565 104024192 CHEMBL435022 ZINC13527383 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50243777 O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C26H21N7O2/c34-22(16-19-10-5-2-6-11-19)27-26-29-23-20(17-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,29,30,34) NNKNPNUOGFMYAG-UHFFFAOYSA-N 50133363 CHEMBL541455::N-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide::N-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide Adenosine receptor A1 Homo sapiens 120 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133363&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10994216 104024194 CHEMBL541455 ZINC13527368 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259809 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A1 Homo sapiens 0.830000 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259813 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(=O)CCC3CCCC3)nc12 InChI=1S/C20H29N7O5/c1-2-22-18(31)15-13(29)14(30)19(32-15)27-9-23-12-16(21)25-20(26-17(12)27)24-11(28)8-7-10-5-3-4-6-10/h9-10,13-15,19,29-30H,2-8H2,1H3,(H,22,31)(H3,21,24,25,26,28)/t13-,14+,15-,19+/m0/s1 VNYJXPNVZRWZAF-QCUYGVNKSA-N 50141448 (2S,3S,4R,5R)-5-[6-Amino-2-(3-cyclopentyl-propionylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::CHEMBL36734 Adenosine receptor A1 Homo sapiens 5450 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141448&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44284007 104030907 CHEMBL36734 ZINC29317172 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259814 Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C20H30N6O5/c21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-4-7-11-5-2-1-3-6-11/h10-12,15-16,19,27,29-30H,1-9H2,(H3,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1 VQXSQGWCUHTPSZ-BGIGGGFGSA-N 50141450 CHEMBL36320::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-4-cyclohexyl-butyramide Adenosine receptor A1 Homo sapiens 733 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141450&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44284052 104030909 CHEMBL36320 ZINC29319224 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259820 Nc1nc(NC(=O)CCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H22N6O5/c20-16-13-17(25(9-21-13)18-15(29)14(28)11(8-26)30-18)24-19(23-16)22-12(27)7-6-10-4-2-1-3-5-10/h1-5,9,11,14-15,18,26,28-29H,6-8H2,(H3,20,22,23,24,27)/t11-,14-,15-,18-/m1/s1 RZWYFQWUSTWXOT-XKLVTHTNSA-N 50141456 CHEMBL289982::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-3-phenyl-propionamide Adenosine receptor A1 Homo sapiens 432.0 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141456&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44284095 104030915 CHEMBL289982 ZINC29317159 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259821 Nc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-9-4-2-1-3-5-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1 SBJQACFELVSXPD-IWCJZZDYSA-N 50141449 CHEMBL36789::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-2-cyclohexyl-acetamide Adenosine receptor A1 Homo sapiens 342 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141449&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44284189 104030908 CHEMBL36789 ZINC29317464 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259824 Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-5-9-3-1-2-4-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1 KAQHTSLMUQMHLB-IWCJZZDYSA-N 50141451 CHEMBL36786::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-3-cyclopentyl-propionamide Adenosine receptor A1 Homo sapiens 252 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141451&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44284222 104030910 CHEMBL36786 ZINC29316966 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259826 Nc1nc(NC(=O)\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H20N6O5/c20-16-13-17(25(9-21-13)18-15(29)14(28)11(8-26)30-18)24-19(23-16)22-12(27)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,26,28-29H,8H2,(H3,20,22,23,24,27)/b7-6+/t11-,14-,15-,18-/m1/s1 DDCUXRNACUVAKE-HGBQRMJASA-N 50141455 CHEMBL285251::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-3-((E)-phenyl)-acrylamide Adenosine receptor A1 Homo sapiens 71 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141455&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44284345 104030914 CHEMBL285251 ZINC29318878 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259829 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCC3CCCC3)nc12 InChI=1S/C23H34N6O5/c30-11-15-18(32)19(33)22(34-15)29-12-24-17-20(25-14-7-3-4-8-14)27-23(28-21(17)29)26-16(31)10-9-13-5-1-2-6-13/h12-15,18-19,22,30,32-33H,1-11H2,(H2,25,26,27,28,31)/t15-,18-,19-,22-/m1/s1 UDHHOFDCGWIOCY-CIVUBGFFSA-N 50141452 3-Cyclopentyl-N-[6-cyclopentylamino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-propionamide::CHEMBL36098 Adenosine receptor A1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141452&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44284209 104030911 CHEMBL36098 ZINC29315989 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259831 CCNc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C20H30N6O5/c1-2-21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-11-6-4-3-5-7-11/h10-12,15-16,19,27,29-30H,2-9H2,1H3,(H2,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1 PFZHYDAXUZUAEO-BGIGGGFGSA-N 50141453 2-Cyclohexyl-N-[9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-ethylamino-9H-purin-2-yl]-acetamide::CHEMBL36160 Adenosine receptor A1 Homo sapiens 207 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141453&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44284223 104030912 CHEMBL36160 ZINC29319030 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259833 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCc3ccccc3)nc12 InChI=1S/C24H30N6O5/c31-12-16-19(33)20(34)23(35-16)30-13-25-18-21(26-15-8-4-5-9-15)28-24(29-22(18)30)27-17(32)11-10-14-6-2-1-3-7-14/h1-3,6-7,13,15-16,19-20,23,31,33-34H,4-5,8-12H2,(H2,26,27,28,29,32)/t16-,19-,20-,23-/m1/s1 OTQUGDYVSBJTMY-UGTJMOTHSA-N 50141447 CHEMBL279391::N-[6-Cyclopentylamino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-3-phenyl-propionamide Adenosine receptor A1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141447&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10345159 104030906 CHEMBL279391 ZINC29316226 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50259835 Nc1nc(NC(=O)C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C17H24N6O5/c18-13-10-14(21-17(20-13)22-15(27)8-4-2-1-3-5-8)23(7-19-10)16-12(26)11(25)9(6-24)28-16/h7-9,11-12,16,24-26H,1-6H2,(H3,18,20,21,22,27)/t9-,11-,12-,16-/m1/s1 INLBKVISPUBQHM-UBEDBUPSSA-N 50141454 CHEMBL288258::Cyclohexanecarboxylic acid [6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-amide Adenosine receptor A1 Homo sapiens 1620 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141454&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44284065 104030913 CHEMBL288258 ZINC29317603 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256627 COc1cccc(c1)-c1nnc([nH]1)-c1ccc(Cl)c(Cl)c1 InChI=1S/C15H11Cl2N3O/c1-21-11-4-2-3-9(7-11)14-18-15(20-19-14)10-5-6-12(16)13(17)8-10/h2-8H,1H3,(H,18,19,20) DHTUIDHJRHTUOI-UHFFFAOYSA-N 50139711 5-(3,4-Dichloro-phenyl)-3-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL353602 Adenosine receptor A1 Homo sapiens 6100 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139711&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44380120 104029543 CHEMBL353602 ZINC13589621 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256634 Cn1nc(nc1-c1cccc(CN2CC=CC2)c1)-c1ccc(cc1)N=[N+]=[N-] InChI=1S/C20H19N7/c1-26-20(17-6-4-5-15(13-17)14-27-11-2-3-12-27)22-19(24-26)16-7-9-18(10-8-16)23-25-21/h2-10,13H,11-12,14H2,1H3 GTHXQZNGOHRXLQ-UHFFFAOYSA-N 50139712 3-(4-Azido-phenyl)-5-[3-(2,5-dihydro-pyrrol-1-ylmethyl)-phenyl]-1-methyl-1H-[1,2,4]triazole::CHEMBL167977 Adenosine receptor A1 Homo sapiens 7300 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139712&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44380025 104029544 CHEMBL167977 ZINC49926445 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256641 COc1cccc(c1)-c1nnc(Cc2cccc(F)c2F)[nH]1 InChI=1S/C16H13F2N3O/c1-22-12-6-2-5-11(8-12)16-19-14(20-21-16)9-10-4-3-7-13(17)15(10)18/h2-8H,9H2,1H3,(H,19,20,21) FIFQRMIRQNKLJF-UHFFFAOYSA-N 50139723 3-(2,3-Difluoro-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL166500 Adenosine receptor A1 Homo sapiens 900 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139723&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44380110 104029555 CHEMBL166500 ZINC13589626 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256642 C(N1CCCC1)c1cccc(c1)-c1nnc([nH]1)-c1ccc2OCCOc2c1 InChI=1S/C21H22N4O2/c1-2-9-25(8-1)14-15-4-3-5-16(12-15)20-22-21(24-23-20)17-6-7-18-19(13-17)27-11-10-26-18/h3-7,12-13H,1-2,8-11,14H2,(H,22,23,24) DRDZEWGTUSKAQJ-UHFFFAOYSA-N 50139724 5-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(3-pyrrolidin-1-ylmethyl-phenyl)-1H-[1,2,4]triazole::CHEMBL424011 Adenosine receptor A1 Homo sapiens 7600 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139724&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21180383 104029556 CHEMBL424011 ZINC13589619 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256649 COc1cccc(c1)-c1nnc(Cc2ccc(Cl)c(Cl)c2)[nH]1 InChI=1S/C16H13Cl2N3O/c1-22-12-4-2-3-11(9-12)16-19-15(20-21-16)8-10-5-6-13(17)14(18)7-10/h2-7,9H,8H2,1H3,(H,19,20,21) VFUNSXKJIWHFNE-UHFFFAOYSA-N 50139727 3-(3,4-Dichloro-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::5-(3,4-Dichloro-benzyl)-3-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL354321 Adenosine receptor A1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139727&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44379809 104029559 CHEMBL354321 ZINC13589625 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256655 COc1cccc(c1)-c1nnc(Cc2ccc(C)c(C)c2)[nH]1 InChI=1S/C18H19N3O/c1-12-7-8-14(9-13(12)2)10-17-19-18(21-20-17)15-5-4-6-16(11-15)22-3/h4-9,11H,10H2,1-3H3,(H,19,20,21) HMDXVKQTGSLYAW-UHFFFAOYSA-N 50139713 3-(3,4-Dimethyl-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::3-(3,4-dimethylbenzyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole::CHEMBL165760 Adenosine receptor A1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139713&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10357057 104029545 CHEMBL165760 ZINC13589628 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256658 COc1cccc(c1)-c1nnc(Cc2ccc3ccccc3c2)[nH]1 InChI=1S/C20H17N3O/c1-24-18-8-4-7-17(13-18)20-21-19(22-23-20)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,21,22,23) WSENLPOEMOSAKZ-UHFFFAOYSA-N 50139718 5-(3-Methoxy-phenyl)-3-naphthalen-2-ylmethyl-1H-[1,2,4]triazole::CHEMBL167343 Adenosine receptor A1 Homo sapiens 2500 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139718&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44379977 104029550 CHEMBL167343 ZINC13589631 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256667 COc1cccc(c1)-c1nnc(CCc2ccc(Cl)c(Cl)c2)[nH]1 InChI=1S/C17H15Cl2N3O/c1-23-13-4-2-3-12(10-13)17-20-16(21-22-17)8-6-11-5-7-14(18)15(19)9-11/h2-5,7,9-10H,6,8H2,1H3,(H,20,21,22) XWWBFQPWVXANHQ-UHFFFAOYSA-N 50139714 5-[2-(3,4-Dichloro-phenyl)-ethyl]-3-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL168912 Adenosine receptor A1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139714&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44379848 104029546 CHEMBL168912 ZINC13589623 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256670 COc1cccc(c1)-c1nnc(Cc2cccc(Br)c2)[nH]1 InChI=1S/C16H14BrN3O/c1-21-14-7-3-5-12(10-14)16-18-15(19-20-16)9-11-4-2-6-13(17)8-11/h2-8,10H,9H2,1H3,(H,18,19,20) AMTQODPEYYUGIN-UHFFFAOYSA-N 50139719 3-(3-Bromo-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL168892 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139719&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44379847 104029551 CHEMBL168892 ZINC13589624 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256881 CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C27H25N5O/c1-2-23-28-26-24(22-16-21(29-32(22)23)19-12-7-4-8-13-19)25(20-14-9-15-20)30-31(27(26)33)17-18-10-5-3-6-11-18/h3-8,10-13,16,20H,2,9,14-15,17H2,1H3 ZGKNTMJAAKRAAZ-UHFFFAOYSA-N 50037971 CHEMBL3359414 Adenosine receptor A1 Homo sapiens 2.9 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037971&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723511 313067187 CHEMBL3359414 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256882 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C27H25N5O/c1-18-28-26-24(23-16-22(29-32(18)23)20-12-6-3-7-13-20)25(21-14-8-9-15-21)30-31(27(26)33)17-19-10-4-2-5-11-19/h2-7,10-13,16,21H,8-9,14-15,17H2,1H3 LINQZOSIMFQLHW-UHFFFAOYSA-N 50037975 CHEMBL379204 Adenosine receptor A1 Homo sapiens 5.1 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11850295 103945426 CHEMBL379204 ZINC13739744 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256901 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256902 O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2 YQSXASIKWPYYFD-UHFFFAOYSA-N 50330631 3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277116 Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330631&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49870825 123109746 CHEMBL1277116 ZINC64436481 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256903 S=c1n(Cc2ccccc2)nc(C2CCC2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C25H21N5S/c31-25-24-22(21-14-20(27-30(21)16-26-24)18-10-5-2-6-11-18)23(19-12-7-13-19)28-29(25)15-17-8-3-1-4-9-17/h1-6,8-11,14,16,19H,7,12-13,15H2 HFINXNLMZFIHLL-UHFFFAOYSA-N 50038025 CHEMBL3359421 Adenosine receptor A1 Homo sapiens 2.4 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038025&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723518 103945472 CHEMBL3359421 ZINC13739759 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256904 CCc1nc2c(c(nn(Cc3ccccc3)c2=S)C2CCCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C28H27N5S/c1-2-24-29-27-25(23-17-22(30-33(23)24)20-13-7-4-8-14-20)26(21-15-9-10-16-21)31-32(28(27)34)18-19-11-5-3-6-12-19/h3-8,11-14,17,21H,2,9-10,15-16,18H2,1H3 YAEHGJUYXHSEIC-UHFFFAOYSA-N 50038026 CHEMBL3359420 Adenosine receptor A1 Homo sapiens 4.7 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038026&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723517 103945473 CHEMBL3359420 ZINC13739752 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256905 S=c1n(Cc2ccccc2)nc(C2CCCC2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C26H23N5S/c32-26-25-23(22-15-21(28-31(22)17-27-25)19-11-5-2-6-12-19)24(20-13-7-8-14-20)29-30(26)16-18-9-3-1-4-10-18/h1-6,9-12,15,17,20H,7-8,13-14,16H2 SEJBDYMMBSSWHT-UHFFFAOYSA-N 50038027 CHEMBL3359418 Adenosine receptor A1 Homo sapiens 13 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038027&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723515 103945474 CHEMBL3359418 ZINC13739750 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256906 S=c1n(Cc2ccccc2)nc(C2CCCCC2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C27H25N5S/c33-27-26-24(23-16-22(29-32(23)18-28-26)20-12-6-2-7-13-20)25(21-14-8-3-9-15-21)30-31(27)17-19-10-4-1-5-11-19/h1-2,4-7,10-13,16,18,21H,3,8-9,14-15,17H2 MGEGASSVTKDZSC-UHFFFAOYSA-N 50038028 CHEMBL3359415 Adenosine receptor A1 Homo sapiens 9.5 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038028&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723512 103945475 CHEMBL3359415 ZINC13739748 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256907 CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C27H25N5O/c1-2-23-28-26-24(22-16-21(29-32(22)23)19-12-7-4-8-13-19)25(20-14-9-15-20)30-31(27(26)33)17-18-10-5-3-6-11-18/h3-8,10-13,16,20H,2,9,14-15,17H2,1H3 ZGKNTMJAAKRAAZ-UHFFFAOYSA-N 50037971 CHEMBL3359414 Adenosine receptor A1 Homo sapiens 1.4 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037971&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723511 313067187 CHEMBL3359414 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256908 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C26H23N5O/c1-17-27-25-23(22-15-21(28-31(17)22)19-11-6-3-7-12-19)24(20-13-8-14-20)29-30(26(25)32)16-18-9-4-2-5-10-18/h2-7,9-12,15,20H,8,13-14,16H2,1H3 YYMNQCMQCBUNRR-UHFFFAOYSA-N 50038029 CHEMBL3359413 Adenosine receptor A1 Homo sapiens 3.4 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038029&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723510 103945476 CHEMBL3359413 ZINC13739760 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256909 O=c1n(Cc2ccccc2)nc(C2CCC2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C25H21N5O/c31-25-24-22(21-14-20(27-30(21)16-26-24)18-10-5-2-6-11-18)23(19-12-7-13-19)28-29(25)15-17-8-3-1-4-9-17/h1-6,8-11,14,16,19H,7,12-13,15H2 VMOSPBUWZZRALU-UHFFFAOYSA-N 50038004 CHEMBL3359412 Adenosine receptor A1 Homo sapiens 1.9 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038004&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723509 313067189 CHEMBL3359412 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256910 CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C28H27N5O/c1-2-24-29-27-25(23-17-22(30-33(23)24)20-13-7-4-8-14-20)26(21-15-9-10-16-21)31-32(28(27)34)18-19-11-5-3-6-12-19/h3-8,11-14,17,21H,2,9-10,15-16,18H2,1H3 GJLCUFJWXOCCCT-UHFFFAOYSA-N 50038005 CHEMBL3359411 Adenosine receptor A1 Homo sapiens 3.5 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038005&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723508 103945454 CHEMBL3359411 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256939 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C27H25N5O/c1-18-28-26-24(23-16-22(29-32(18)23)20-12-6-3-7-13-20)25(21-14-8-9-15-21)30-31(27(26)33)17-19-10-4-2-5-11-19/h2-7,10-13,16,21H,8-9,14-15,17H2,1H3 LINQZOSIMFQLHW-UHFFFAOYSA-N 50037975 CHEMBL379204 Adenosine receptor A1 Homo sapiens 6.2 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11850295 103945426 CHEMBL379204 ZINC13739744 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256941 O=c1n(Cc2ccccc2)nc(C2CCCC2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C26H23N5O/c32-26-25-23(22-15-21(28-31(22)17-27-25)19-11-5-2-6-12-19)24(20-13-7-8-14-20)29-30(26)16-18-9-3-1-4-10-18/h1-6,9-12,15,17,20H,7-8,13-14,16H2 ZEWYSXWXUBWGAG-UHFFFAOYSA-N 50038003 CHEMBL3359410 Adenosine receptor A1 Homo sapiens 32 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038003&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723507 313067188 CHEMBL3359410 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256943 CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C29H29N5O/c1-2-25-30-28-26(24-18-23(31-34(24)25)21-14-8-4-9-15-21)27(22-16-10-5-11-17-22)32-33(29(28)35)19-20-12-6-3-7-13-20/h3-4,6-9,12-15,18,22H,2,5,10-11,16-17,19H2,1H3 DHUSHJPWDOYYEJ-UHFFFAOYSA-N 50038030 CHEMBL3359409 Adenosine receptor A1 Homo sapiens 15 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038030&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723506 103945477 CHEMBL3359409 ZINC13739758 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256947 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C28H27N5O/c1-19-29-27-25(24-17-23(30-33(19)24)21-13-7-3-8-14-21)26(22-15-9-4-10-16-22)31-32(28(27)34)18-20-11-5-2-6-12-20/h2-3,5-8,11-14,17,22H,4,9-10,15-16,18H2,1H3 WMHZLQZBSJFDER-UHFFFAOYSA-N 50038031 CHEMBL3359408 Adenosine receptor A1 Homo sapiens 9.5 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038031&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723505 103945478 CHEMBL3359408 ZINC13739756 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50256950 O=c1n(Cc2ccccc2)nc(C2CCCCC2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C27H25N5O/c33-27-26-24(23-16-22(29-32(23)18-28-26)20-12-6-2-7-13-20)25(21-14-8-3-9-15-21)30-31(27)17-19-10-4-1-5-11-19/h1-2,4-7,10-13,16,18,21H,3,8-9,14-15,17H2 LMKJKOXMCNGFKX-UHFFFAOYSA-N 50037986 CHEMBL3359407 Adenosine receptor A1 Homo sapiens 173 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118723504 103945437 CHEMBL3359407 ZINC27305447 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254024 CCCCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C19H28N6O6/c1-2-3-5-20-19(28)30-8-12-14(26)15(27)18(31-12)25-10-23-13-16(21-9-22-17(13)25)24-11-4-6-29-7-11/h9-12,14-15,18,26-27H,2-8H2,1H3,(H,20,28)(H,21,22,24)/t11?,12-,14-,15-,18?/m1/s1 RBKABLKVVZZNFQ-WFIMNSBASA-N 50138522 Butyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester::CHEMBL151968 Adenosine receptor A1 Homo sapiens 1409 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138522&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44367081 104028558 CHEMBL151968 ZINC27618950 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254025 O[C@@H]1[C@@H](COC(=S)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C18H24N6O5S/c1-2-4-19-18(30)28-7-11-13(25)14(26)17(29-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-27-6-10/h2,8-11,13-14,17,25-26H,1,3-7H2,(H,19,30)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1 HOOBZKZMNQDNOQ-MQWPZHSDSA-N 50138524 Allyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester::CHEMBL150200 Adenosine receptor A1 Homo sapiens 35 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138524&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366753 104028560 CHEMBL150200 ZINC27624680 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254026 CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C17H24N6O5S/c1-2-18-17(29)27-6-10-12(24)13(25)16(28-10)23-8-21-11-14(19-7-20-15(11)23)22-9-3-4-26-5-9/h7-10,12-13,16,24-25H,2-6H2,1H3,(H,18,29)(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1 JDSLZZDHOWLABO-LFLXKQNJSA-N 50138525 CHEMBL358613::Ethyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 33 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138525&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44367050 104028561 CHEMBL358613 ZINC27623621 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254027 O[C@@H]1[C@@H](COC(=O)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C18H24N6O6/c1-2-4-19-18(27)29-7-11-13(25)14(26)17(30-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-28-6-10/h2,8-11,13-14,17,25-26H,1,3-7H2,(H,19,27)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1 RHDXFGHPTNYHFF-MQWPZHSDSA-N 50138526 Allyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester::CHEMBL356860 Adenosine receptor A1 Homo sapiens 524 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138526&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366646 104028562 CHEMBL356860 ZINC27620533 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254028 CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C16H22N6O5S/c1-17-16(28)26-5-9-11(23)12(24)15(27-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-25-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,28)(H,18,19,21)/t8?,9-,11-,12-,15?/m1/s1 OXVAPEGCPANDNE-ATJVVDHWSA-N 50138527 CHEMBL150348::Methyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138527&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366748 104028563 CHEMBL150348 ZINC27626847 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254029 O[C@@H]1[C@@H](COC(=O)NCc2ccc(F)cc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C22H25FN6O6/c23-13-3-1-12(2-4-13)7-24-22(32)34-9-15-17(30)18(31)21(35-15)29-11-27-16-19(25-10-26-20(16)29)28-14-5-6-33-8-14/h1-4,10-11,14-15,17-18,21,30-31H,5-9H2,(H,24,32)(H,25,26,28)/t14?,15-,17-,18-,21?/m1/s1 RTIPLRNONIWJGH-RXHHNXKZSA-N 50138528 (4-Fluoro-benzyl)-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester::CHEMBL151282 Adenosine receptor A1 Homo sapiens 1913 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138528&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366739 104028564 CHEMBL151282 ZINC27621138 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254030 O[C@@H]1[C@@H](COC(=S)NC2CCCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C21H30N6O5S/c28-16-14(9-31-21(33)26-12-4-2-1-3-5-12)32-20(17(16)29)27-11-24-15-18(22-10-23-19(15)27)25-13-6-7-30-8-13/h10-14,16-17,20,28-29H,1-9H2,(H,26,33)(H,22,23,25)/t13?,14-,16-,17-,20?/m1/s1 CSESPDVPHOWLJZ-AETFFUPWSA-N 50138529 CHEMBL357055::Cyclohexyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 253 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138529&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366570 104028565 CHEMBL357055 ZINC27626774 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254031 O[C@@H]1[C@@H](COC(=S)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C18H24N6O5S/c25-13-11(6-28-18(30)23-9-1-2-9)29-17(14(13)26)24-8-21-12-15(19-7-20-16(12)24)22-10-3-4-27-5-10/h7-11,13-14,17,25-26H,1-6H2,(H,23,30)(H,19,20,22)/t10?,11-,13-,14-,17?/m1/s1 BXJRGEDAELQPHR-MQWPZHSDSA-N 50138532 CHEMBL151074::Cyclopropyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 157 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138532&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366857 104028568 CHEMBL151074 ZINC27624240 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254032 CCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C18H26N6O5S/c1-2-4-19-18(30)28-7-11-13(25)14(26)17(29-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-27-6-10/h8-11,13-14,17,25-26H,2-7H2,1H3,(H,19,30)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1 ISGVMLXODTYLCI-MQWPZHSDSA-N 50138534 CHEMBL149520::Propyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138534&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44367070 104028570 CHEMBL149520 ZINC27627420 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254033 CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C16H22N6O6/c1-17-16(25)27-5-9-11(23)12(24)15(28-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-26-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,25)(H,18,19,21)/t8?,9-,11-,12-,15?/m1/s1 PAXXXZVJWGPTHT-ATJVVDHWSA-N 50138533 CHEMBL150950::Methyl-carbamic acid (2R,3R,5R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester::Methyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138533&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366934 104028569 CHEMBL150950 ZINC27624822 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254034 O[C@@H]1[C@@H](COC(=O)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C22H26N6O6/c29-17-15(10-33-22(31)23-8-13-4-2-1-3-5-13)34-21(18(17)30)28-12-26-16-19(24-11-25-20(16)28)27-14-6-7-32-9-14/h1-5,11-12,14-15,17-18,21,29-30H,6-10H2,(H,23,31)(H,24,25,27)/t14?,15-,17-,18-,21?/m1/s1 COVZZVJGYWDANC-RXHHNXKZSA-N 50138539 Benzyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester::CHEMBL150983 Adenosine receptor A1 Homo sapiens 1826 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138539&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366557 104028575 CHEMBL150983 ZINC27623454 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254035 O[C@@H]1[C@@H](COC(=O)NC2CCCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C21H30N6O6/c28-16-14(9-32-21(30)26-12-4-2-1-3-5-12)33-20(17(16)29)27-11-24-15-18(22-10-23-19(15)27)25-13-6-7-31-8-13/h10-14,16-17,20,28-29H,1-9H2,(H,26,30)(H,22,23,25)/t13?,14-,16-,17-,20?/m1/s1 TWWXKGOURYFUSA-AETFFUPWSA-N 50138538 CHEMBL345494::Cyclohexyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 584 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138538&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366586 104028574 CHEMBL345494 ZINC27564451 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254036 CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12 InChI=1S/C17H23ClN6O5S/c1-2-19-17(30)28-6-9-11(25)12(26)15(29-9)24-7-20-10-13(21-8-3-4-27-5-8)22-16(18)23-14(10)24/h7-9,11-12,15,25-26H,2-6H2,1H3,(H,19,30)(H,21,22,23)/t8?,9-,11-,12-,15?/m1/s1 FABRULMJHVBZGJ-ATJVVDHWSA-N 50138541 CHEMBL151050::Ethyl-thiocarbamic acid (2R,3S,4R)-5-{2-chloro-6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 55 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138541&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44367051 104028577 CHEMBL151050 ZINC27623642 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254037 CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12 InChI=1S/C16H21ClN6O6/c1-18-16(26)28-5-8-10(24)11(25)14(29-8)23-6-19-9-12(20-7-2-3-27-4-7)21-15(17)22-13(9)23/h6-8,10-11,14,24-25H,2-5H2,1H3,(H,18,26)(H,20,21,22)/t7?,8-,10-,11-,14?/m1/s1 DBIFUBZUVRBMCL-VVLOMEKLSA-N 50138521 CHEMBL149790::Methyl-carbamic acid (2R,3S,4R)-5-{2-chloro-6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 96 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138521&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366935 104028557 CHEMBL149790 ZINC27624839 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254038 O[C@@H]1[C@@H](COC(=S)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C22H26N6O5S/c29-17-15(10-32-22(34)23-8-13-4-2-1-3-5-13)33-21(18(17)30)28-12-26-16-19(24-11-25-20(16)28)27-14-6-7-31-9-14/h1-5,11-12,14-15,17-18,21,29-30H,6-10H2,(H,23,34)(H,24,25,27)/t14?,15-,17-,18-,21?/m1/s1 HTPXSAIAFDDZJS-RXHHNXKZSA-N 50138535 Benzyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester::CHEMBL347519 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138535&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366738 104028571 CHEMBL347519 ZINC27620484 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254039 CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12 InChI=1S/C16H21ClN6O5S/c1-18-16(29)27-5-8-10(24)11(25)14(28-8)23-6-19-9-12(20-7-2-3-26-4-7)21-15(17)22-13(9)23/h6-8,10-11,14,24-25H,2-5H2,1H3,(H,18,29)(H,20,21,22)/t7?,8-,10-,11-,14?/m1/s1 RIKWQOXYQCYEDN-VVLOMEKLSA-N 50138536 CHEMBL358227::Methyl-thiocarbamic acid (2R,3S,4R)-5-{2-chloro-6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 71 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138536&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366765 104028572 CHEMBL358227 ZINC27622550 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254040 CCCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C19H28N6O5S/c1-2-3-5-20-19(31)29-8-12-14(26)15(27)18(30-12)25-10-23-13-16(21-9-22-17(13)25)24-11-4-6-28-7-11/h9-12,14-15,18,26-27H,2-8H2,1H3,(H,20,31)(H,21,22,24)/t11?,12-,14-,15-,18?/m1/s1 SEQUMGVLXQFVAS-WFIMNSBASA-N 50138537 Butyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester::CHEMBL347342 Adenosine receptor A1 Homo sapiens 157 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138537&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44367082 104028573 CHEMBL347342 ZINC27618970 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254041 O[C@@H]1[C@@H](COC(=O)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C20H28N6O6/c27-15-13(8-31-20(29)25-11-3-1-2-4-11)32-19(16(15)28)26-10-23-14-17(21-9-22-18(14)26)24-12-5-6-30-7-12/h9-13,15-16,19,27-28H,1-8H2,(H,25,29)(H,21,22,24)/t12?,13-,15-,16-,19?/m1/s1 YRPWUOMFKIPEQE-DNTSPBFFSA-N 50138531 CHEMBL356776::Cyclopentyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 321 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138531&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366548 104028567 CHEMBL356776 ZINC27561921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254042 CN(C)C(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C17H24N6O5S/c1-22(2)17(29)27-6-10-12(24)13(25)16(28-10)23-8-20-11-14(18-7-19-15(11)23)21-9-3-4-26-5-9/h7-10,12-13,16,24-25H,3-6H2,1-2H3,(H,18,19,21)/t9?,10-,12-,13-,16?/m1/s1 HWUKZZRTOQAPGE-LFLXKQNJSA-N 50138542 CHEMBL150490::Dimethyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 205 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138542&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366944 104028578 CHEMBL150490 ZINC27625172 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254043 CC(C)NC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C18H26N6O5S/c1-9(2)22-18(30)28-6-11-13(25)14(26)17(29-11)24-8-21-12-15(19-7-20-16(12)24)23-10-3-4-27-5-10/h7-11,13-14,17,25-26H,3-6H2,1-2H3,(H,22,30)(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1 CINHREZUVNXOIY-MQWPZHSDSA-N 50138540 CHEMBL150676::Isopropyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 36 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138540&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44367064 104028576 CHEMBL150676 ZINC27626650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254044 O[C@@H]1[C@@H](COC(=S)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C19H26N6O5S/c26-14-12(7-29-19(31)24-10-2-1-3-10)30-18(15(14)27)25-9-22-13-16(20-8-21-17(13)25)23-11-4-5-28-6-11/h8-12,14-15,18,26-27H,1-7H2,(H,24,31)(H,20,21,23)/t11?,12-,14-,15-,18?/m1/s1 MSLJQVMLYRRSTP-WFIMNSBASA-N 50138543 CHEMBL150944::Cyclobutyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 148 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138543&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366860 104028579 CHEMBL150944 ZINC27625560 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254045 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1 OESBDSFYJMDRJY-VVLOMEKLSA-N 50138530 (2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-3,4-diol::(2R,3S,4R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-3,4-diol::BDBM50224766::CHEMBL356254::CVT-510::Tecadenoson Adenosine receptor A1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138530&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 158795 104028566 CHEMBL356254 ZINC27622509 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254047 CCCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C18H26N6O6/c1-2-4-19-18(27)29-7-11-13(25)14(26)17(30-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-28-6-10/h8-11,13-14,17,25-26H,2-7H2,1H3,(H,19,27)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1 XSXHYCVXDWOJQG-MQWPZHSDSA-N 50138546 CHEMBL151046::Propyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 235 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138546&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44367052 104028582 CHEMBL151046 ZINC27624362 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254048 O[C@@H]1[C@@H](COC(=S)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C20H28N6O5S/c27-15-13(8-30-20(32)25-11-3-1-2-4-11)31-19(16(15)28)26-10-23-14-17(21-9-22-18(14)26)24-12-5-6-29-7-12/h9-13,15-16,19,27-28H,1-8H2,(H,25,32)(H,21,22,24)/t12?,13-,15-,16-,19?/m1/s1 YRUUGLUKUAGYBH-DNTSPBFFSA-N 50138544 CHEMBL356610::Cyclopentyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 72 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138544&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366549 104028580 CHEMBL356610 ZINC27617866 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254049 O[C@@H]1[C@@H](COC(=O)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C19H26N6O6/c26-14-12(7-30-19(28)24-10-2-1-3-10)31-18(15(14)27)25-9-22-13-16(20-8-21-17(13)25)23-11-4-5-29-6-11/h8-12,14-15,18,26-27H,1-7H2,(H,24,28)(H,20,21,23)/t11?,12-,14-,15-,18?/m1/s1 VWFLOFMOVISAHQ-WFIMNSBASA-N 50138549 CHEMBL149735::Cyclobutyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 306 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138549&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366858 104028585 CHEMBL149735 ZINC27624260 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254050 O[C@@H]1[C@@H](COC(=O)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C18H24N6O6/c25-13-11(6-29-18(27)23-9-1-2-9)30-17(14(13)26)24-8-21-12-15(19-7-20-16(12)24)22-10-3-4-28-5-10/h7-11,13-14,17,25-26H,1-6H2,(H,23,27)(H,19,20,22)/t10?,11-,13-,14-,17?/m1/s1 YGINKEIQJRPERE-MQWPZHSDSA-N 50138551 CHEMBL150604::Cyclopropyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 209 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138551&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44367065 104028587 CHEMBL150604 ZINC27621803 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254051 CC(C)NC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C18H26N6O6/c1-9(2)22-18(27)29-6-11-13(25)14(26)17(30-11)24-8-21-12-15(19-7-20-16(12)24)23-10-3-4-28-5-10/h7-11,13-14,17,25-26H,3-6H2,1-2H3,(H,22,27)(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1 VFFAFWJJXOHHOJ-MQWPZHSDSA-N 50138547 CHEMBL151169::Isopropyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138547&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44367078 104028583 CHEMBL151169 ZINC27620240 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254052 CN(C)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C17H24N6O6/c1-22(2)17(26)28-6-10-12(24)13(25)16(29-10)23-8-20-11-14(18-7-19-15(11)23)21-9-3-4-27-5-9/h7-10,12-13,16,24-25H,3-6H2,1-2H3,(H,18,19,21)/t9?,10-,12-,13-,16?/m1/s1 HZRQQSCPAZVZIA-LFLXKQNJSA-N 50138550 CHEMBL150517::Dimethyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 238 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366647 104028586 CHEMBL150517 ZINC27620547 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254053 CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C17H24N6O6/c1-2-18-17(26)28-6-10-12(24)13(25)16(29-10)23-8-21-11-14(19-7-20-15(11)23)22-9-3-4-27-5-9/h7-10,12-13,16,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1 OBAAIGREYDUOHX-LFLXKQNJSA-N 50138548 CHEMBL150240::Ethyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 167 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138548&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366986 104028584 CHEMBL150240 ZINC27621286 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50254054 O[C@H]1[C@@H](O)C(O[C@@H]1COC(=O)NC1CCCC1)n1cnc2c(NC3CCOC3)nc(Cl)nc12 InChI=1S/C20H27ClN6O6/c21-19-25-16(23-11-5-6-31-7-11)13-17(26-19)27(9-22-13)18-15(29)14(28)12(33-18)8-32-20(30)24-10-3-1-2-4-10/h9-12,14-15,18,28-29H,1-8H2,(H,24,30)(H,23,25,26)/t11?,12-,14-,15-,18?/m1/s1 NXPGMHLDKKABEK-WFIMNSBASA-N 50138523 CHEMBL358218::Cyclopentyl-carbamic acid (2R,3S,4R)-5-{2-chloro-6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester Adenosine receptor A1 Homo sapiens 226 ChEMBL 10.1016/j.bmcl.2003.09.094 10.7270/Q2QZ29DN 14698198 Palle, VP; Varkhedkar, V; Ibrahim, P; Ahmed, H; Li, Z; Gao, Z; Ozeck, M; Wu, Y; Zeng, D; Wu, L; Leung, K; Chu, N; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138523&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44366534 104028559 CHEMBL358218 ZINC27564363 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271494 CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H15N3O/c1-19(2)15-9-8-12-14(20)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,20) BEMRWFAUJDRLIY-UHFFFAOYSA-N 50147858 7-(dimethylamino)-2-phenyl-1,8-naphthyridin-4-ol::7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102429 Adenosine receptor A1 Homo sapiens 980 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147858&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10378184 104036264 CHEMBL102429 ZINC13579545 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271503 COc1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C16H14N2O/c1-11-8-9-13-15(19-2)10-14(18-16(13)17-11)12-6-4-3-5-7-12/h3-10H,1-2H3 YCKHYNHAPZIJKJ-UHFFFAOYSA-N 50090706 4-Methoxy-7-methyl-2-phenyl-1,8-naphthyridine::4-Methoxy-7-methyl-2-phenyl-[1,8]naphthyridine::CHEMBL319580 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090706&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10729354 103989167 CHEMBL319580 ZINC13579503 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271504 CCOC(=O)CCN1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C24H28N4O2/c1-3-30-23(29)11-12-27-13-15-28(16-14-27)22-17-21(19-7-5-4-6-8-19)26-24-20(22)10-9-18(2)25-24/h4-10,17H,3,11-16H2,1-2H3 IWDYDSAEPJGCCN-UHFFFAOYSA-N 50147861 3-[4-(7-Methyl-2-phenyl-[1,8]naphthyridin-4-yl)-piperazin-1-yl]-propionic acid ethyl ester::CHEMBL100121 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147861&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333267 104036267 CHEMBL100121 ZINC26749867 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271505 Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1 InChI=1S/C21H23N3/c1-15-12-13-18-20(23-17-10-6-3-7-11-17)14-19(24-21(18)22-15)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,22,23,24) NCXRGWNKMATFFY-UHFFFAOYSA-N 50090704 CHEMBL97624::Cyclohexyl-(7-methyl-2-phenyl-[1,8]naphthyridin-4-yl)-amine::N-cyclohexyl-7-methyl-2-phenyl-1,8-naphthyridin-4-amine Adenosine receptor A1 Homo sapiens 448.0 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090704&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10757861 103989165 CHEMBL97624 ZINC13579513 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260672 CCOC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccc(OC)cc1 InChI=1S/C20H20N4O3/c1-4-27-20(25)23-12-18-21-19(14-6-8-15(26-3)9-7-14)22-24(18)17-11-13(2)5-10-16(17)23/h5-11H,4,12H2,1-3H3 RTLGOCSNDGKWTR-UHFFFAOYSA-N 50041204 CHEMBL3355976 Adenosine receptor A1 Homo sapiens 86 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041204&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721216 313067654 CHEMBL3355976 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260673 CCC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccc(OC)cc1 InChI=1S/C20H20N4O2/c1-4-19(25)23-12-18-21-20(14-6-8-15(26-3)9-7-14)22-24(18)17-11-13(2)5-10-16(17)23/h5-11H,4,12H2,1-3H3 WQEKRARRQHTSAU-UHFFFAOYSA-N 50041205 CHEMBL3355975 Adenosine receptor A1 Homo sapiens 1543 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041205&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721215 313067655 CHEMBL3355975 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260674 CCCOC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1 InChI=1S/C20H20N4O2/c1-3-11-26-20(25)23-13-18-21-19(15-7-5-4-6-8-15)22-24(18)17-12-14(2)9-10-16(17)23/h4-10,12H,3,11,13H2,1-2H3 AWIFKALTOQTTSK-UHFFFAOYSA-N 50041206 CHEMBL3355974 Adenosine receptor A1 Homo sapiens 565 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041206&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721214 313067656 CHEMBL3355974 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260675 CCOC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1 InChI=1S/C19H18N4O2/c1-3-25-19(24)22-12-17-20-18(14-7-5-4-6-8-14)21-23(17)16-11-13(2)9-10-15(16)22/h4-11H,3,12H2,1-2H3 JNNCTJXFLXJKKM-UHFFFAOYSA-N 50041207 CHEMBL3355973 Adenosine receptor A1 Homo sapiens 556 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041207&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721213 313067657 CHEMBL3355973 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260676 COC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1 InChI=1S/C18H16N4O2/c1-12-8-9-14-15(10-12)22-16(11-21(14)18(23)24-2)19-17(20-22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3 NUDHQWXWHZRVDW-UHFFFAOYSA-N 50041208 CHEMBL3355972 Adenosine receptor A1 Homo sapiens 1481 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041208&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721212 313067658 CHEMBL3355972 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260677 CCC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1 InChI=1S/C19H18N4O/c1-3-18(24)22-12-17-20-19(14-7-5-4-6-8-14)21-23(17)16-11-13(2)9-10-15(16)22/h4-11H,3,12H2,1-2H3 XCDYDGBZFUZUKT-UHFFFAOYSA-N 50041209 CHEMBL3355971 Adenosine receptor A1 Homo sapiens 134 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041209&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 101886899 313067659 CHEMBL3355971 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260678 CCOC(=O)N1Cc2nc(nn2-c2ccccc12)-c1ccccc1 InChI=1S/C18H16N4O2/c1-2-24-18(23)21-12-16-19-17(13-8-4-3-5-9-13)20-22(16)15-11-7-6-10-14(15)21/h3-11H,2,12H2,1H3 OITPIDBCDBQPMS-UHFFFAOYSA-N 50041210 CHEMBL3355970 Adenosine receptor A1 Homo sapiens 4600 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041210&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721211 313067660 CHEMBL3355970 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260679 CCC(=O)N1Cc2nc(nn2-c2ccccc12)-c1ccccc1 InChI=1S/C18H16N4O/c1-2-17(23)21-12-16-19-18(13-8-4-3-5-9-13)20-22(16)15-11-7-6-10-14(15)21/h3-11H,2,12H2,1H3 KZQRFVQWXHYLGT-UHFFFAOYSA-N 50041211 CHEMBL3355968 Adenosine receptor A1 Homo sapiens 1360 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041211&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721209 313067661 CHEMBL3355968 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271511 CCn1c(cc(=O)c2ccc(C)nc12)-c1ccccc1 InChI=1S/C17H16N2O/c1-3-19-15(13-7-5-4-6-8-13)11-16(20)14-10-9-12(2)18-17(14)19/h4-11H,3H2,1-2H3 FWHOTNQFRIOUCV-UHFFFAOYSA-N 50090692 1-Ethyl-7-methyl-2-phenyl-1H-[1,8]naphthyridin-4-one::1-ethyl-7-methyl-2-phenyl-1,8-naphthyridin-4(1H)-one::CHEMBL415697 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090692&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10778032 103989153 CHEMBL415697 ZINC13579498 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271513 Oc1cc(nc2nc(F)ccc12)-c1ccccc1 InChI=1S/C14H9FN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) JYUCERXIHOMWBK-UHFFFAOYSA-N 50090709 7-Fluoro-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL97757 Adenosine receptor A1 Homo sapiens 1400 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090709&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10728732 103989170 CHEMBL97757 ZINC13579523 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271516 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A1 Homo sapiens 463 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271522 Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1 InChI=1S/C15H12N2O2/c1-17-14(19)8-7-11-13(18)9-12(16-15(11)17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18) NDIGDUKGZPJYJH-UHFFFAOYSA-N 50090699 5-Hydroxy-1-methyl-7-phenyl-1H-[1,8]naphthyridin-2-one::5-hydroxy-1-methyl-7-phenyl-1,8-naphthyridin-2(1H)-one::CHEMBL328214 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090699&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10824688 103989160 CHEMBL328214 ZINC13579535 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271523 Cc1cc(O)c2ccc(N)nc2n1 InChI=1S/C9H9N3O/c1-5-4-7(13)6-2-3-8(10)12-9(6)11-5/h2-4H,1H3,(H3,10,11,12,13) FPRARRWNHBXCFA-UHFFFAOYSA-N 50147866 7-Amino-2-methyl-[1,8]naphthyridin-4-ol::7-amino-2-methyl-1,8-naphthyridin-4-ol::CHEMBL321330 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147866&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15588319 104036272 CHEMBL321330 ZINC13579584 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271528 Oc1cc(nc2[nH]c(=O)ccc12)-c1ccccc1 InChI=1S/C14H10N2O2/c17-12-8-11(9-4-2-1-3-5-9)15-14-10(12)6-7-13(18)16-14/h1-8H,(H2,15,16,17,18) UYSLLPSTKAYJAM-UHFFFAOYSA-N 50090695 7-Phenyl-[1,8]naphthyridine-2,5-diol::CHEMBL97904 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090695&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10537885 103989156 CHEMBL97904 ZINC13579532 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271529 COc1cc(nc2n(C)c(=O)ccc12)-c1ccccc1 InChI=1S/C16H14N2O2/c1-18-15(19)9-8-12-14(20-2)10-13(17-16(12)18)11-6-4-3-5-7-11/h3-10H,1-2H3 ZTDDTJJCIKYWRC-UHFFFAOYSA-N 50090703 5-Methoxy-1-methyl-7-phenyl-1H-[1,8]naphthyridin-2-one::5-methoxy-1-methyl-7-phenyl-1,8-naphthyridin-2(1H)-one::CHEMBL98227 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090703&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10539682 103989164 CHEMBL98227 ZINC13579534 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271531 CCCc1cc(O)c2ccc(N)nc2n1 InChI=1S/C11H13N3O/c1-2-3-7-6-9(15)8-4-5-10(12)14-11(8)13-7/h4-6H,2-3H2,1H3,(H3,12,13,14,15) IFIXNQRPTOMZCQ-UHFFFAOYSA-N 50147867 7-Amino-2-propyl-[1,8]naphthyridin-4-ol::7-amino-2-propyl-1,8-naphthyridin-4-ol::CHEMBL103588 Adenosine receptor A1 Homo sapiens 4100 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147867&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14686957 104036273 CHEMBL103588 ZINC13579588 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271532 Oc1cc(nc2nc(Oc3ccccc3)ccc12)-c1ccccc1 InChI=1S/C20H14N2O2/c23-18-13-17(14-7-3-1-4-8-14)21-20-16(18)11-12-19(22-20)24-15-9-5-2-6-10-15/h1-13H,(H,21,22,23) SLZVBIPBLILWAS-UHFFFAOYSA-N 50090701 7-Phenoxy-2-phenyl-[1,8]naphthyridin-4-ol::7-phenoxy-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97896 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090701&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10663067 103989162 CHEMBL97896 ZINC13579526 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271540 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1F InChI=1S/C15H11FN2O/c1-9-6-7-11-14(19)8-13(18-15(11)17-9)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18,19) AXHXSGOIYWBQTM-UHFFFAOYSA-N 50090690 2-(2-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::CHEMBL95384 Adenosine receptor A1 Homo sapiens 490 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090690&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10538858 103989151 CHEMBL95384 ZINC13579519 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271555 Cc1ccc2c(O)cc(nc2n1)-c1cccc(N)c1 InChI=1S/C15H13N3O/c1-9-5-6-12-14(19)8-13(18-15(12)17-9)10-3-2-4-11(16)7-10/h2-8H,16H2,1H3,(H,17,18,19) OKVZOLUFTRHZBG-UHFFFAOYSA-N 50147871 2-(3-Amino-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::2-(3-aminophenyl)-7-methyl-1,8-naphthyridin-4-ol::CHEMBL323303 Adenosine receptor A1 Homo sapiens 4000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147871&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11368737 104036277 CHEMBL323303 ZINC13579574 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271559 Oc1cc(nc2nc(Br)ccc12)-c1ccccc1 InChI=1S/C14H9BrN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) ZVIMMGQTBAKKGA-UHFFFAOYSA-N 50090700 7-Bromo-2-phenyl-[1,8]naphthyridin-4-ol::7-bromo-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97687 Adenosine receptor A1 Homo sapiens 336 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090700&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10402581 103989161 CHEMBL97687 ZINC13579521 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271560 Cc1ccc2c(NN)cc(nc2n1)-c1ccccc1 InChI=1S/C15H14N4/c1-10-7-8-12-14(19-16)9-13(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,17,18,19) CWTSAOIACWWXPW-UHFFFAOYSA-N 50090698 (7-Methyl-2-phenyl-[1,8]naphthyridin-4-yl)-hydrazine::1-(7-methyl-2-phenyl-1,8-naphthyridin-4-yl)hydrazine::CHEMBL94538 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090698&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44327984 103989159 CHEMBL94538 ZINC13579541 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271561 CCOc1ccc2c(n1)n(CC)c(cc2=O)-c1ccccc1 InChI=1S/C18H18N2O2/c1-3-20-15(13-8-6-5-7-9-13)12-16(21)14-10-11-17(22-4-2)19-18(14)20/h5-12H,3-4H2,1-2H3 JKRWRMYTHHNAOF-UHFFFAOYSA-N 50147865 7-Ethoxy-1-ethyl-2-phenyl-1H-[1,8]naphthyridin-4-one::CHEMBL102753 Adenosine receptor A1 Homo sapiens 930 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147865&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11266371 104036271 CHEMBL102753 ZINC13579561 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271562 CCOc1ccc2c(OCC)cc(nc2n1)-c1ccccc1 InChI=1S/C18H18N2O2/c1-3-21-16-12-15(13-8-6-5-7-9-13)19-18-14(16)10-11-17(20-18)22-4-2/h5-12H,3-4H2,1-2H3 NIZRNYKHWFUXOA-UHFFFAOYSA-N 50147863 4,7-Diethoxy-2-phenyl-[1,8]naphthyridine::4,7-diethoxy-2-phenyl-1,8-naphthyridine::CHEMBL102974 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147863&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11415171 104036269 CHEMBL102974 ZINC13579563 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271563 CCOc1cc(nc2nc(Br)ccc12)-c1ccccc1 InChI=1S/C16H13BrN2O/c1-2-20-14-10-13(11-6-4-3-5-7-11)18-16-12(14)8-9-15(17)19-16/h3-10H,2H2,1H3 KLQJOMKIBCTFIK-UHFFFAOYSA-N 50147868 7-Bromo-4-ethoxy-2-phenyl-[1,8]naphthyridine::7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine::CHEMBL103559 Adenosine receptor A1 Homo sapiens 1000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147868&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11771825 104036274 CHEMBL103559 ZINC13579557 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271566 CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1 InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22) JYIITCYTXQXDCX-UHFFFAOYSA-N 50147869 CHEMBL104998::N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide Adenosine receptor A1 Homo sapiens 1460 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147869&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10085767 104036275 CHEMBL104998 ZINC13579570 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271571 Cc1ccc2c(N)ccnc2n1 InChI=1S/C9H9N3/c1-6-2-3-7-8(10)4-5-11-9(7)12-6/h2-5H,1H3,(H2,10,11,12) BURICQOPQKPYBQ-UHFFFAOYSA-N 50147860 7-Methyl-[1,8]naphthyridin-4-ylamine::CHEMBL102126 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147860&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 12455201 104036266 CHEMBL102126 ZINC13579580 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271572 Cc1ccc2c(Cl)cc(nc2n1)-c1ccccc1 InChI=1S/C15H11ClN2/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3 CMSOCFLZPHQUAD-UHFFFAOYSA-N 50090689 4-Chloro-7-methyl-2-phenyl-[1,8]naphthyridine::4-chloro-7-methyl-2-phenyl-1,8-naphthyridine::CHEMBL97778 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090689&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 12431921 103989150 CHEMBL97778 ZINC13579501 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272646 CCOC(=O)c1cnc(NCc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H17N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h3-10,12H,2,11H2,1H3,(H,20,21) WGWSSUNZPXDWCE-UHFFFAOYSA-N 50048011 CHEMBL3314895 Adenosine receptor A1 Homo sapiens 940 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048011&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707862 103978568 CHEMBL3314895 ZINC00004875 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272647 CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C20H19N5O3/c1-3-27-19(26)15-12-22-20(21-11-14-8-6-13(2)7-9-14)25-18(15)23-17(24-25)16-5-4-10-28-16/h4-10,12H,3,11H2,1-2H3,(H,21,22) LMDLTPLDFIQQJX-UHFFFAOYSA-N 50048012 CHEMBL3314896 Adenosine receptor A1 Homo sapiens 1340 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048012&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707863 313068886 CHEMBL3314896 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272648 CCOC(=O)c1cnc(NCc2ccc(OC)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C20H19N5O4/c1-3-28-19(26)15-12-22-20(21-11-13-6-8-14(27-2)9-7-13)25-18(15)23-17(24-25)16-5-4-10-29-16/h4-10,12H,3,11H2,1-2H3,(H,21,22) PLXYZBPDEWWLHQ-UHFFFAOYSA-N 50048013 CHEMBL3314897 Adenosine receptor A1 Homo sapiens 1250 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048013&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707864 313068887 CHEMBL3314897 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272649 CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H16FN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,21,22) QZWUMCQUZKEPGT-UHFFFAOYSA-N 50048014 CHEMBL3314898 Adenosine receptor A1 Homo sapiens 932 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048014&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707865 313068888 CHEMBL3314898 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272650 CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H16ClN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,21,22) WKDIXLOBNDTWJA-UHFFFAOYSA-N 50048015 CHEMBL3314899 Adenosine receptor A1 Homo sapiens 866 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048015&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707866 313068889 CHEMBL3314899 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272651 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24) AEULVFLPCJOBCE-UHFFFAOYSA-N 50094037 2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL136689::SCH-442416 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094037&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10668061 103991936 CHEMBL136689 3283 ZINC00602847 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272652 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A1 Homo sapiens 594 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272653 CCOC(=O)c1cnc(SC)n2nc(nc12)-c1ccco1 InChI=1S/C13H12N4O3S/c1-3-19-12(18)8-7-14-13(21-2)17-11(8)15-10(16-17)9-5-4-6-20-9/h4-7H,3H2,1-2H3 FYVFQKPIXSURSP-UHFFFAOYSA-N 50048057 CHEMBL3314870 Adenosine receptor A1 Homo sapiens 5720 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048057&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 69846756 103978590 CHEMBL3314870 ZINC13831897 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272654 CCOC(=O)c1cnc(NCc2ccc(cc2)C(F)(F)F)n2nc(nc12)-c1ccco1 InChI=1S/C20H16F3N5O3/c1-2-30-18(29)14-11-25-19(24-10-12-5-7-13(8-6-12)20(21,22)23)28-17(14)26-16(27-28)15-4-3-9-31-15/h3-9,11H,2,10H2,1H3,(H,24,25) QQZCBTKNQSEZOZ-UHFFFAOYSA-N 50048016 CHEMBL3314900 Adenosine receptor A1 Homo sapiens 1590 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048016&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707867 313068890 CHEMBL3314900 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272655 CCOC(=O)c1cnc(NCc2ccc(cc2)-c2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C25H21N5O3/c1-2-32-24(31)20-16-27-25(30-23(20)28-22(29-30)21-9-6-14-33-21)26-15-17-10-12-19(13-11-17)18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3,(H,26,27) RDPQQFRZIZWHKI-UHFFFAOYSA-N 50048017 CHEMBL3314901 Adenosine receptor A1 Homo sapiens 890 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048017&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707868 313068891 CHEMBL3314901 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272656 CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C19H23N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,21) XESJVEWZUYGSHL-UHFFFAOYSA-N 50047997 CHEMBL3314894 Adenosine receptor A1 Homo sapiens 432 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047997&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707861 313068885 CHEMBL3314894 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272657 CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1 InChI=1S/C21H21N5O5/c1-4-30-20(27)14-12-23-21(22-11-13-7-8-15(28-2)17(10-13)29-3)26-19(14)24-18(25-26)16-6-5-9-31-16/h5-10,12H,4,11H2,1-3H3,(H,22,23) VZKOSFXYYAOWFE-UHFFFAOYSA-N 50048058 CHEMBL3314871 Adenosine receptor A1 Homo sapiens 315 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048058&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22002364 103978591 CHEMBL3314871 ZINC01552599 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272658 COc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1OC InChI=1S/C19H17N5O5/c1-27-13-6-5-11(8-15(13)28-2)9-20-19-21-10-12(18(25)26)17-22-16(23-24(17)19)14-4-3-7-29-14/h3-8,10H,9H2,1-2H3,(H,20,21)(H,25,26) DNLBKTPXMZBOFK-UHFFFAOYSA-N 50048059 CHEMBL3314872 Adenosine receptor A1 Homo sapiens 958 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048059&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22002352 103978592 CHEMBL3314872 ZINC03792241 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272659 CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1 InChI=1S/C20H20N6O4/c1-21-19(27)13-11-23-20(22-10-12-6-7-14(28-2)16(9-12)29-3)26-18(13)24-17(25-26)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,27)(H,22,23) MZKHULNXFMYXHQ-UHFFFAOYSA-N 50048060 CHEMBL3314873 Adenosine receptor A1 Homo sapiens 428 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048060&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22002319 103978593 CHEMBL3314873 ZINC13831901 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272660 COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(nn23)-c2ccco2)cc1OC InChI=1S/C27H26N6O4/c1-35-21-11-10-19(15-23(21)36-2)16-29-27-30-17-20(26(34)28-13-12-18-7-4-3-5-8-18)25-31-24(32-33(25)27)22-9-6-14-37-22/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,28,34)(H,29,30) AISRPRRMNYPGJX-UHFFFAOYSA-N 50048061 CHEMBL3314874 Adenosine receptor A1 Homo sapiens 385 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048061&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707843 103978594 CHEMBL3314874 ZINC13831912 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260699 COc1ccc(cc1)-c1nc2cnc3ccc(C)cc3n2n1 InChI=1S/C17H14N4O/c1-11-3-8-14-15(9-11)21-16(10-18-14)19-17(20-21)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3 DIJGYMFCQTYMFB-UHFFFAOYSA-N 50041212 CHEMBL3356374 Adenosine receptor A1 Homo sapiens 2016 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041212&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721486 313067662 CHEMBL3356374 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260700 Cc1ccc2ncc3nc(nn3c2c1)-c1ccccc1 InChI=1S/C16H12N4/c1-11-7-8-13-14(9-11)20-15(10-17-13)18-16(19-20)12-5-3-2-4-6-12/h2-10H,1H3 ZUFVVAQGLGKWBN-UHFFFAOYSA-N 50041213 CHEMBL3356373 Adenosine receptor A1 Homo sapiens 1322 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041213&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721485 313067663 CHEMBL3356373 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50260701 Clc1ccc2ncc3nc(nn3c2c1)-c1ccccc1 InChI=1S/C15H9ClN4/c16-11-6-7-12-13(8-11)20-14(9-17-12)18-15(19-20)10-4-2-1-3-5-10/h1-9H QFVSYVXBRJZMLZ-UHFFFAOYSA-N 50041233 CHEMBL3356371 Adenosine receptor A1 Homo sapiens 127 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041233&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118721484 313067665 CHEMBL3356371 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271581 Cc1ccc2c(N)cc(nc2n1)-c1ccccc1 InChI=1S/C15H13N3/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18) ZUQJILBTGSLROV-UHFFFAOYSA-N 50090708 7-Methyl-2-phenyl-[1,8]naphthyridin-4-ylamine::7-methyl-2-phenyl-1,8-naphthyridin-4-amine::CHEMBL97337 Adenosine receptor A1 Homo sapiens 2000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090708&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10847356 103989169 CHEMBL97337 ZINC13579509 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271582 Oc1cc(nc2nc(Br)ccc12)-c1ccccc1 InChI=1S/C14H9BrN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) ZVIMMGQTBAKKGA-UHFFFAOYSA-N 50090700 7-Bromo-2-phenyl-[1,8]naphthyridin-4-ol::7-bromo-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97687 Adenosine receptor A1 Homo sapiens 360 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090700&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10402581 103989161 CHEMBL97687 ZINC13579521 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271589 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2O/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18) USYVLFNTOOQIMZ-UHFFFAOYSA-N 50090705 7-Methyl-2-phenyl-[1,8]naphthyridin-4-ol::7-methyl-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97549 Adenosine receptor A1 Homo sapiens 430 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090705&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5467768 103989166 CHEMBL97549 ZINC06488320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271590 CCCc1cc(O)c2ccc(C)nc2n1 InChI=1S/C12H14N2O/c1-3-4-9-7-11(15)10-6-5-8(2)13-12(10)14-9/h5-7H,3-4H2,1-2H3,(H,13,14,15) JAFFZYFREVCDTP-UHFFFAOYSA-N 50147877 7-Methyl-2-propyl-[1,8]naphthyridin-4-ol::7-methyl-2-propyl-1,8-naphthyridin-4-ol::CHEMBL103150 Adenosine receptor A1 Homo sapiens 1500 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147877&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 13155595 104036283 CHEMBL103150 ZINC13579586 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271594 Cc1ccc2c(Oc3ccccc3)cc(nc2n1)-c1ccccc1 InChI=1S/C21H16N2O/c1-15-12-13-18-20(24-17-10-6-3-7-11-17)14-19(23-21(18)22-15)16-8-4-2-5-9-16/h2-14H,1H3 NGZKBFPWUDPEFK-UHFFFAOYSA-N 50090702 7-Methyl-4-phenoxy-2-phenyl-[1,8]naphthyridine::7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine::CHEMBL96576 Adenosine receptor A1 Homo sapiens 8800 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090702&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10828916 103989163 CHEMBL96576 ZINC13579505 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271595 Cc1ccc2c(O)cc(Cc3ccccc3)nc2n1 InChI=1S/C16H14N2O/c1-11-7-8-14-15(19)10-13(18-16(14)17-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19) OSNOGJBNOXMXBJ-UHFFFAOYSA-N 50147862 2-Benzyl-7-methyl-[1,8]naphthyridin-4-ol::2-benzyl-7-methyl-1,8-naphthyridin-4-ol::CHEMBL103796 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147862&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333187 104036268 CHEMBL103796 ZINC13579576 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271597 Cc1ccc2c(O)cc(nc2n1)-c1ccc(N)cc1 InChI=1S/C15H13N3O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3,(H,17,18,19) CZXAHGMAYCNGTM-UHFFFAOYSA-N 50147875 2-(4-Amino-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::2-(4-aminophenyl)-7-methyl-1,8-naphthyridin-4-ol::CHEMBL104999 Adenosine receptor A1 Homo sapiens 910 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147875&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11311283 104036281 CHEMBL104999 ZINC13579568 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271598 Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1 InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) JSCUNIPKMPNPFX-UHFFFAOYSA-N 50090697 7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol::7-chloro-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97760 Adenosine receptor A1 Homo sapiens 300 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090697&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6105572 103989158 CHEMBL97760 ZINC08582290 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271600 Cc1ccc2c(O)cc(nc2n1)-c1ccc(cc1)[N+]([O-])=O InChI=1S/C15H11N3O3/c1-9-2-7-12-14(19)8-13(17-15(12)16-9)10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H,16,17,19) MGONMXNIZCTIPU-UHFFFAOYSA-N 50090688 7-Methyl-2-(4-nitro-phenyl)-[1,8]naphthyridin-4-ol::CHEMBL316630 Adenosine receptor A1 Homo sapiens 3100 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090688&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 13155597 103989149 CHEMBL316630 ZINC13579539 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271607 Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1 InChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24) ZDODJZMITPPZHF-UHFFFAOYSA-N 50147859 7-(cyclohexylamino)-2-phenyl-1,8-naphthyridin-4-ol::7-Cyclohexylamino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL418797 Adenosine receptor A1 Homo sapiens 2200 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147859&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11415926 104036265 CHEMBL418797 ZINC13579549 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271611 Cc1ccc2ccc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2/c1-11-7-8-13-9-10-14(17-15(13)16-11)12-5-3-2-4-6-12/h2-10H,1H3 BGLSJWRWFABGNC-UHFFFAOYSA-N 50090686 2-Methyl-7-phenyl-[1,8]naphthyridine::2-methyl-7-phenyl-1,8-naphthyridine::7-Methyl-2-phenyl-1,8-naphthyridine::CHEMBL97344 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090686&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 12431922 103989147 CHEMBL97344 ZINC13579537 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271612 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 6.7 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271622 CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H15N3O/c1-19(2)15-9-8-12-14(20)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,20) BEMRWFAUJDRLIY-UHFFFAOYSA-N 50147858 7-(dimethylamino)-2-phenyl-1,8-naphthyridin-4-ol::7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102429 Adenosine receptor A1 Homo sapiens 1370 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147858&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10378184 104036264 CHEMBL102429 ZINC13579545 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271624 Cc1ccc2c(S)cc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2S/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18) VXQCNUDURSVDNV-UHFFFAOYSA-N 50090685 7-Methyl-2-phenyl-[1,8]naphthyridine-4-thiol::CHEMBL329293 Adenosine receptor A1 Homo sapiens 2000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090685&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10562783 103989146 CHEMBL329293 ZINC13579500 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271632 CCOC(=O)CCN1CCN(CC1)c1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C23H26N4O3/c1-2-30-22(29)10-11-26-12-14-27(15-13-26)21-9-8-18-20(28)16-19(24-23(18)25-21)17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H,24,25,28) MZNYHTOYWYLUGI-UHFFFAOYSA-N 50147880 3-[4-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-piperazin-1-yl]-propionic acid ethyl ester::CHEMBL103278 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147880&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333456 104036286 CHEMBL103278 ZINC26819470 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271633 NC(=O)Cc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H13N3O2/c17-15(21)8-11-6-7-12-14(20)9-13(19-16(12)18-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,17,21)(H,18,19,20) HZWWUKPTGCWOGE-UHFFFAOYSA-N 50147879 2-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-acetamide::CHEMBL317411 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147879&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333467 104036285 CHEMBL317411 ZINC26823001 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271639 Cc1cc(O)c2ccc(N)nc2n1 InChI=1S/C9H9N3O/c1-5-4-7(13)6-2-3-8(10)12-9(6)11-5/h2-4H,1H3,(H3,10,11,12,13) FPRARRWNHBXCFA-UHFFFAOYSA-N 50147866 7-Amino-2-methyl-[1,8]naphthyridin-4-ol::7-amino-2-methyl-1,8-naphthyridin-4-ol::CHEMBL321330 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147866&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15588319 104036272 CHEMBL321330 ZINC13579584 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271644 Cc1ccc2c(O)cc(nc2n1)-c1ccc(F)cc1 InChI=1S/C15H11FN2O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,1H3,(H,17,18,19) SNGDBODRLXYCRJ-UHFFFAOYSA-N 50059101 2-(4-Fluoro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one::2-(4-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::2-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol::CHEMBL313864 Adenosine receptor A1 Homo sapiens 3900 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059101&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5468910 103955003 CHEMBL313864 ZINC06488309 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272661 CNC(=O)c1cnc(N)n2nc(nc12)-c1ccco1 InChI=1S/C11H10N6O2/c1-13-10(18)6-5-14-11(12)17-9(6)15-8(16-17)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14)(H,13,18) XXBJWZWBDPCJLY-UHFFFAOYSA-N 50047977 CHEMBL3314875 Adenosine receptor A1 Homo sapiens 135 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047977&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22002375 103978541 CHEMBL3314875 ZINC13828069 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272662 Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 InChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25) QSEZHCRHSSPFSF-UHFFFAOYSA-N 50047978 CHEMBL3313941 Adenosine receptor A1 Homo sapiens 57 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047978&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707844 103978542 CHEMBL3313941 ZINC13828063 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272663 CCOC(=O)c1cnc(N)n2nc(nc12)-c1ccco1 InChI=1S/C12H11N5O3/c1-2-19-11(18)7-6-14-12(13)17-10(7)15-9(16-17)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,14) PUVYFFNVIIAMAD-UHFFFAOYSA-N 50047979 CHEMBL3314876 Adenosine receptor A1 Homo sapiens 185 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047979&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22002449 103978543 CHEMBL3314876 ZINC13828047 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272664 CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C18H15N7O3/c1-19-16(26)12-10-20-17(23-18(27)21-11-6-3-2-4-7-11)25-15(12)22-14(24-25)13-8-5-9-28-13/h2-10H,1H3,(H,19,26)(H2,20,21,23,27) WAQPAPWWCAZZPX-UHFFFAOYSA-N 50047980 CHEMBL3314877 Adenosine receptor A1 Homo sapiens 126 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047980&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707845 103978544 CHEMBL3314877 ZINC13828029 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272665 CNC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C18H21N7O3/c1-19-16(26)12-10-20-17(23-18(27)21-11-6-3-2-4-7-11)25-15(12)22-14(24-25)13-8-5-9-28-13/h5,8-11H,2-4,6-7H2,1H3,(H,19,26)(H2,20,21,23,27) GXEZYCDFZVJREN-UHFFFAOYSA-N 50047981 CHEMBL3314878 Adenosine receptor A1 Homo sapiens 8990 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047981&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707846 103978545 CHEMBL3314878 ZINC13828084 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272666 CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H16N6O3/c1-20-18(27)13-11-21-19(22-15(26)10-12-6-3-2-4-7-12)25-17(13)23-16(24-25)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,27)(H,21,22,26) KREPMYGREGKWTJ-UHFFFAOYSA-N 50047982 CHEMBL3314879 Adenosine receptor A1 Homo sapiens 296 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047982&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707847 103978546 CHEMBL3314879 ZINC13828058 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272667 O=C(Nc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 InChI=1S/C25H21N7O3/c33-23(26-14-13-17-8-3-1-4-9-17)19-16-27-24(30-25(34)28-18-10-5-2-6-11-18)32-22(19)29-21(31-32)20-12-7-15-35-20/h1-12,15-16H,13-14H2,(H,26,33)(H2,27,28,30,34) NWQNJVWWWACIPI-UHFFFAOYSA-N 50047983 CHEMBL3314880 Adenosine receptor A1 Homo sapiens 365 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047983&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707848 103978547 CHEMBL3314880 ZINC13828075 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272668 O=C(NC1CCCCC1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 InChI=1S/C25H27N7O3/c33-23(26-14-13-17-8-3-1-4-9-17)19-16-27-24(30-25(34)28-18-10-5-2-6-11-18)32-22(19)29-21(31-32)20-12-7-15-35-20/h1,3-4,7-9,12,15-16,18H,2,5-6,10-11,13-14H2,(H,26,33)(H2,27,28,30,34) DFSSZVWKIQRZFF-UHFFFAOYSA-N 50047984 CHEMBL3314881 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047984&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707849 103978548 CHEMBL3314881 ZINC13828044 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272669 O=C(Cc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 InChI=1S/C26H22N6O3/c33-22(16-19-10-5-2-6-11-19)29-26-28-17-20(25(34)27-14-13-18-8-3-1-4-9-18)24-30-23(31-32(24)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,34)(H,28,29,33) QTZWGFGOCQGUEI-UHFFFAOYSA-N 50047985 CHEMBL3314882 Adenosine receptor A1 Homo sapiens 317 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047985&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707850 103978549 CHEMBL3314882 ZINC13828041 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272670 CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H16N6O4/c1-2-28-17(26)13-11-20-18(23-19(27)21-12-7-4-3-5-8-12)25-16(13)22-15(24-25)14-9-6-10-29-14/h3-11H,2H2,1H3,(H2,20,21,23,27) JJENTLBDQVZIJS-UHFFFAOYSA-N 50047986 CHEMBL3314883 Adenosine receptor A1 Homo sapiens 322 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707851 103978550 CHEMBL3314883 ZINC13828099 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272671 CCOC(=C)c1cnc(NC(=O)NC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C20H24N6O3/c1-3-28-13(2)15-12-21-19(24-20(27)22-14-8-5-4-6-9-14)26-18(15)23-17(25-26)16-10-7-11-29-16/h7,10-12,14H,2-6,8-9H2,1H3,(H2,21,22,24,27) NRSCJCCACLWGQC-UHFFFAOYSA-N 50047987 CHEMBL3314884 Adenosine receptor A1 Homo sapiens 12700 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047987&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707852 103978551 CHEMBL3314884 ZINC13828027 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272672 CCOC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C20H17N5O4/c1-2-28-19(27)14-12-21-20(22-16(26)11-13-7-4-3-5-8-13)25-18(14)23-17(24-25)15-9-6-10-29-15/h3-10,12H,2,11H2,1H3,(H,21,22,26) WMATVRCFAUYCCA-UHFFFAOYSA-N 50047988 CHEMBL3314885 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047988&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707853 103978552 CHEMBL3314885 ZINC01551899 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272673 OC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C17H18N6O4/c24-15(25)11-9-18-16(21-17(26)19-10-5-2-1-3-6-10)23-14(11)20-13(22-23)12-7-4-8-27-12/h4,7-10H,1-3,5-6H2,(H,24,25)(H2,18,19,21,26) TYFPZRYPVUUVBV-UHFFFAOYSA-N 50047989 CHEMBL3314886 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047989&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707854 103978553 CHEMBL3314886 ZINC13828034 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272674 CCOC(=O)c1cnc(NC)n2nc(nc12)-c1ccco1 InChI=1S/C13H13N5O3/c1-3-20-12(19)8-7-15-13(14-2)18-11(8)16-10(17-18)9-5-4-6-21-9/h4-7H,3H2,1-2H3,(H,14,15) JNJYDJMAHYQBPZ-UHFFFAOYSA-N 50047990 CHEMBL3314887 Adenosine receptor A1 Homo sapiens 978 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047990&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 101874280 103978554 CHEMBL3314887 ZINC29478927 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272675 CCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 InChI=1S/C14H15N5O3/c1-3-15-14-16-8-9(13(20)21-4-2)12-17-11(18-19(12)14)10-6-5-7-22-10/h5-8H,3-4H2,1-2H3,(H,15,16) WNENJDQWBOEYHM-UHFFFAOYSA-N 50047991 CHEMBL3314888 Adenosine receptor A1 Homo sapiens 162 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047991&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707855 313068879 CHEMBL3314888 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272676 CCCCCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 InChI=1S/C17H21N5O3/c1-3-5-6-9-18-17-19-11-12(16(23)24-4-2)15-20-14(21-22(15)17)13-8-7-10-25-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19) BYVXDGHIVFXMHD-UHFFFAOYSA-N 50047992 CHEMBL3314889 Adenosine receptor A1 Homo sapiens 613 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047992&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707856 313068880 CHEMBL3314889 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272677 CCOC(=O)c1cnc(NC(C)C)n2nc(nc12)-c1ccco1 InChI=1S/C15H17N5O3/c1-4-22-14(21)10-8-16-15(17-9(2)3)20-13(10)18-12(19-20)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,17) UCGUGXYLRHNYAX-UHFFFAOYSA-N 50047993 CHEMBL3314890 Adenosine receptor A1 Homo sapiens 40 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047993&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707857 313068881 CHEMBL3314890 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272678 CCCCC(CC)CNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 InChI=1S/C20H27N5O3/c1-4-7-9-14(5-2)12-21-20-22-13-15(19(26)27-6-3)18-23-17(24-25(18)20)16-10-8-11-28-16/h8,10-11,13-14H,4-7,9,12H2,1-3H3,(H,21,22) UWLYAOJAQQPBDW-UHFFFAOYSA-N 50047994 CHEMBL3314891 Adenosine receptor A1 Homo sapiens 1150 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047994&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707858 313068882 CHEMBL3314891 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272679 CCOC(=O)c1cnc(NC2CC2)n2nc(nc12)-c1ccco1 InChI=1S/C15H15N5O3/c1-2-22-14(21)10-8-16-15(17-9-5-6-9)20-13(10)18-12(19-20)11-4-3-7-23-11/h3-4,7-9H,2,5-6H2,1H3,(H,16,17) MBXDLCHXRJJXPM-UHFFFAOYSA-N 50047995 CHEMBL3314892 Adenosine receptor A1 Homo sapiens 61 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047995&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707859 313068883 CHEMBL3314892 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272680 CCOC(=O)c1cnc(NC2CCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C17H19N5O3/c1-2-24-16(23)12-10-18-17(19-11-6-3-4-7-11)22-15(12)20-14(21-22)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,18,19) KQHDLHPQSBPPHO-UHFFFAOYSA-N 50047996 CHEMBL3314893 Adenosine receptor A1 Homo sapiens 34 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047996&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707860 313068884 CHEMBL3314893 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272681 CCOC(=O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C25H21N5O3/c1-2-32-24(31)19-16-26-25(30-23(19)28-22(29-30)20-14-9-15-33-20)27-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,21H,2H2,1H3,(H,26,27) KNEFPOCSBQYCAB-UHFFFAOYSA-N 50048018 CHEMBL3314902 Adenosine receptor A1 Homo sapiens 943 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048018&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707869 313068892 CHEMBL3314902 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272682 CCOC(=O)c1cnc(NC2CCC2)n2nc(nc12)-c1ccco1 InChI=1S/C16H17N5O3/c1-2-23-15(22)11-9-17-16(18-10-5-3-6-10)21-14(11)19-13(20-21)12-7-4-8-24-12/h4,7-10H,2-3,5-6H2,1H3,(H,17,18) PTLUTVCULNPCPA-UHFFFAOYSA-N 50048020 CHEMBL3314903 Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048020&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707870 313068893 CHEMBL3314903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272683 CCOC(=O)c1cnc(NC2CCCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C19H23N5O3/c1-2-26-18(25)14-12-20-19(21-13-8-5-3-4-6-9-13)24-17(14)22-16(23-24)15-10-7-11-27-15/h7,10-13H,2-6,8-9H2,1H3,(H,20,21) BVCLEYHJQVAWKA-UHFFFAOYSA-N 50048021 CHEMBL3314904 Adenosine receptor A1 Homo sapiens 231 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048021&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707871 313068894 CHEMBL3314904 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272684 CCCC(=C)C1=CC=C(CC2CCCCCCC2)C2C=C(C=C12)C1=CC=CC1 InChI=1S/C28H36/c1-3-11-21(2)26-17-16-24(18-22-12-7-5-4-6-8-13-22)27-19-25(20-28(26)27)23-14-9-10-15-23/h9-10,14,16-17,19-20,22,27H,2-8,11-13,15,18H2,1H3 JCHIJSKPJOYLNK-UHFFFAOYSA-N 50048022 CHEMBL3314905 Adenosine receptor A1 Homo sapiens 176 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048022&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707872 103978570 CHEMBL3314905 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272685 CCOC(=O)c1cnc(N2CCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C16H17N5O3/c1-2-23-15(22)11-10-17-16(20-7-3-4-8-20)21-14(11)18-13(19-21)12-6-5-9-24-12/h5-6,9-10H,2-4,7-8H2,1H3 YXPRLIQLCNQBBZ-UHFFFAOYSA-N 50048023 CHEMBL3314906 Adenosine receptor A1 Homo sapiens 15600 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048023&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707873 103978571 CHEMBL3314906 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272686 CCOC(=O)c1cnc(N2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C17H19N5O3/c1-2-24-16(23)12-11-18-17(21-8-4-3-5-9-21)22-15(12)19-14(20-22)13-7-6-10-25-13/h6-7,10-11H,2-5,8-9H2,1H3 OHWDRCWCHNWDSA-UHFFFAOYSA-N 50048024 CHEMBL3314907 Adenosine receptor A1 Homo sapiens 8860 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048024&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707874 103978572 CHEMBL3314907 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272687 CCOC(=O)c1cnc(NCCOC)n2nc(nc12)-c1ccco1 InChI=1S/C15H17N5O4/c1-3-23-14(21)10-9-17-15(16-6-8-22-2)20-13(10)18-12(19-20)11-5-4-7-24-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17) SQXDUEUOZAKGTJ-UHFFFAOYSA-N 50048026 CHEMBL3314908 Adenosine receptor A1 Homo sapiens 2270 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048026&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 69846372 103978574 CHEMBL3314908 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272688 CCOC(=O)c1cnc(N(C)C)n2nc(nc12)-c1ccco1 InChI=1S/C14H15N5O3/c1-4-21-13(20)9-8-15-14(18(2)3)19-12(9)16-11(17-19)10-6-5-7-22-10/h5-8H,4H2,1-3H3 ZNWCUZMDMIZYKM-UHFFFAOYSA-N 50048027 CHEMBL3314909 Adenosine receptor A1 Homo sapiens 13400 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048027&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707875 103978575 CHEMBL3314909 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272689 CCOC(=O)c1cnc(N2CCOCC2)n2nc(nc12)-c1ccco1 InChI=1S/C16H17N5O4/c1-2-24-15(22)11-10-17-16(20-5-8-23-9-6-20)21-14(11)18-13(19-21)12-4-3-7-25-12/h3-4,7,10H,2,5-6,8-9H2,1H3 TUECGVFALVZAQU-UHFFFAOYSA-N 50048028 CHEMBL3314910 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048028&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707876 313068895 CHEMBL3314910 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272690 CCOC(=O)c1cnc(NC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C18H21N5O3/c1-2-25-17(24)13-11-19-18(20-12-7-4-3-5-8-12)23-16(13)21-15(22-23)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,20) JHULGSFPNSGSIM-UHFFFAOYSA-N 50048029 CHEMBL3314911 Adenosine receptor A1 Homo sapiens 141 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048029&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707877 313068896 CHEMBL3314911 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272691 CCOC(=O)c1cnc(NN2CCOCC2)n2nc(nc12)-c1ccco1 InChI=1S/C16H18N6O4/c1-2-25-15(23)11-10-17-16(20-21-5-8-24-9-6-21)22-14(11)18-13(19-22)12-4-3-7-26-12/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,17,20) SCANRMYHTKJLCR-UHFFFAOYSA-N 50048030 CHEMBL3314912 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048030&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707878 313068897 CHEMBL3314912 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272692 CCOC(=O)c1cnc(NCC(C)C)n2nc(nc12)-c1ccco1 InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(17-8-10(2)3)21-14(11)19-13(20-21)12-6-5-7-24-12/h5-7,9-10H,4,8H2,1-3H3,(H,17,18) ZZXIVHBZTITUIW-UHFFFAOYSA-N 50048031 CHEMBL3314913 Adenosine receptor A1 Homo sapiens 46 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048031&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707879 313068898 CHEMBL3314913 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272693 CCOC(=O)c1cnc(NOC)n2nc(nc12)-c1ccco1 InChI=1S/C13H13N5O4/c1-3-21-12(19)8-7-14-13(17-20-2)18-11(8)15-10(16-18)9-5-4-6-22-9/h4-7H,3H2,1-2H3,(H,14,17) IRZJBPUHUWWPCT-UHFFFAOYSA-N 50048032 CHEMBL3314914 Adenosine receptor A1 Homo sapiens 6510 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048032&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707880 313068899 CHEMBL3314914 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272694 CNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C11H9N5O3/c1-12-11-13-5-6(10(17)18)9-14-8(15-16(9)11)7-3-2-4-19-7/h2-5H,1H3,(H,12,13)(H,17,18) DYSUREWISUEKOO-UHFFFAOYSA-N 50048033 CHEMBL3314915 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048033&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707881 313068900 CHEMBL3314915 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272695 CCNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C12H11N5O3/c1-2-13-12-14-6-7(11(18)19)10-15-9(16-17(10)12)8-4-3-5-20-8/h3-6H,2H2,1H3,(H,13,14)(H,18,19) ZKXDVIJDWCKBCG-UHFFFAOYSA-N 50048034 CHEMBL3314916 Adenosine receptor A1 Homo sapiens 11900 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048034&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707882 313068901 CHEMBL3314916 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272696 CCCCCNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C15H17N5O3/c1-2-3-4-7-16-15-17-9-10(14(21)22)13-18-12(19-20(13)15)11-6-5-8-23-11/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)(H,21,22) IZOYRNZUKBFKMC-UHFFFAOYSA-N 50048035 CHEMBL3314917 Adenosine receptor A1 Homo sapiens 10400 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048035&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707883 313068902 CHEMBL3314917 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272697 CC(C)Nc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C13H13N5O3/c1-7(2)15-13-14-6-8(12(19)20)11-16-10(17-18(11)13)9-4-3-5-21-9/h3-7H,1-2H3,(H,14,15)(H,19,20) XCVQRDMKSKEIRQ-UHFFFAOYSA-N 50048036 CHEMBL3314918 Adenosine receptor A1 Homo sapiens 4490 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048036&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707884 313068903 CHEMBL3314918 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272698 CCCCC(CC)CNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C18H23N5O3/c1-3-5-7-12(4-2)10-19-18-20-11-13(17(24)25)16-21-15(22-23(16)18)14-8-6-9-26-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,19,20)(H,24,25) TZOGMSFSIZUEEN-UHFFFAOYSA-N 50048037 CHEMBL3314919 Adenosine receptor A1 Homo sapiens 1780 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048037&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707885 313068904 CHEMBL3314919 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272699 OC(=O)c1cnc(NC2CC2)n2nc(nc12)-c1ccco1 InChI=1S/C13H11N5O3/c19-12(20)8-6-14-13(15-7-3-4-7)18-11(8)16-10(17-18)9-2-1-5-21-9/h1-2,5-7H,3-4H2,(H,14,15)(H,19,20) ICESLOOIFGQLHE-UHFFFAOYSA-N 50048038 CHEMBL3314920 Adenosine receptor A1 Homo sapiens 1110 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048038&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707886 313068905 CHEMBL3314920 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272700 OC(=O)c1cnc(NC2CCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C15H15N5O3/c21-14(22)10-8-16-15(17-9-4-1-2-5-9)20-13(10)18-12(19-20)11-6-3-7-23-11/h3,6-9H,1-2,4-5H2,(H,16,17)(H,21,22) ZJQWYVBMMUUXKV-UHFFFAOYSA-N 50048039 CHEMBL3314921 Adenosine receptor A1 Homo sapiens 3790 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048039&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707887 313068906 CHEMBL3314921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272701 OC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C17H19N5O3/c23-16(24)12-10-19-17(18-9-11-5-2-1-3-6-11)22-15(12)20-14(21-22)13-7-4-8-25-13/h4,7-8,10-11H,1-3,5-6,9H2,(H,18,19)(H,23,24) INYVMKRWJFKMDL-UHFFFAOYSA-N 50048040 CHEMBL3314922 Adenosine receptor A1 Homo sapiens 2740 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048040&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707888 313068907 CHEMBL3314922 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272702 OC(=O)c1cnc(NCc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C17H13N5O3/c23-16(24)12-10-19-17(18-9-11-5-2-1-3-6-11)22-15(12)20-14(21-22)13-7-4-8-25-13/h1-8,10H,9H2,(H,18,19)(H,23,24) PNVBRZLGOOYTAM-UHFFFAOYSA-N 50048041 CHEMBL3314923 Adenosine receptor A1 Homo sapiens 5090 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048041&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707889 313068908 CHEMBL3314923 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272703 Cc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1 InChI=1S/C18H15N5O3/c1-11-4-6-12(7-5-11)9-19-18-20-10-13(17(24)25)16-21-15(22-23(16)18)14-3-2-8-26-14/h2-8,10H,9H2,1H3,(H,19,20)(H,24,25) PQENFDKFKUKZEC-UHFFFAOYSA-N 50048042 CHEMBL3314924 Adenosine receptor A1 Homo sapiens 2730 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048042&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707890 313068909 CHEMBL3314924 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272704 COc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1 InChI=1S/C18H15N5O4/c1-26-12-6-4-11(5-7-12)9-19-18-20-10-13(17(24)25)16-21-15(22-23(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,19,20)(H,24,25) IWSIZNDPYKQFNO-UHFFFAOYSA-N 50048054 CHEMBL3314925 Adenosine receptor A1 Homo sapiens 5760 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048054&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707891 103978587 CHEMBL3314925 ZINC29557215 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272705 OC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C17H12FN5O3/c18-11-5-3-10(4-6-11)8-19-17-20-9-12(16(24)25)15-21-14(22-23(15)17)13-2-1-7-26-13/h1-7,9H,8H2,(H,19,20)(H,24,25) IEWTUUNJURMVEY-UHFFFAOYSA-N 50048055 CHEMBL3314926 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048055&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707892 103978588 CHEMBL3314926 ZINC13831920 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272706 OC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C17H12ClN5O3/c18-11-5-3-10(4-6-11)8-19-17-20-9-12(16(24)25)15-21-14(22-23(15)17)13-2-1-7-26-13/h1-7,9H,8H2,(H,19,20)(H,24,25) PMDMFBXAOGSHBR-UHFFFAOYSA-N 50048056 CHEMBL3314927 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048056&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707893 103978589 CHEMBL3314927 ZINC29545941 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272707 OC(=O)c1cnc(NCc2ccc(cc2)C(F)(F)F)n2nc(nc12)-c1ccco1 InChI=1S/C18H12F3N5O3/c19-18(20,21)11-5-3-10(4-6-11)8-22-17-23-9-12(16(27)28)15-24-14(25-26(15)17)13-2-1-7-29-13/h1-7,9H,8H2,(H,22,23)(H,27,28) BWADQIPIUTYRQG-UHFFFAOYSA-N 50047974 CHEMBL3314928 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047974&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707894 103978538 CHEMBL3314928 ZINC13828056 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272708 OC(=O)c1cnc(NCc2ccc(cc2)-c2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C23H17N5O3/c29-22(30)18-14-25-23(28-21(18)26-20(27-28)19-7-4-12-31-19)24-13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,24,25)(H,29,30) RDCDEVVTNGEMML-UHFFFAOYSA-N 50047975 CHEMBL3314929 Adenosine receptor A1 Homo sapiens 30100 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707895 103978539 CHEMBL3314929 ZINC13828053 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272709 OC(=O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C23H17N5O3/c29-22(30)17-14-24-23(28-21(17)26-20(27-28)18-12-7-13-31-18)25-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,24,25)(H,29,30) LFIHRYNORHVKFJ-UHFFFAOYSA-N 50047976 CHEMBL3314930 Adenosine receptor A1 Homo sapiens 2450 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047976&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707896 103978540 CHEMBL3314930 ZINC13828087 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271652 Cc1cc(O)c2ccc(=O)[nH]c2n1 InChI=1S/C9H8N2O2/c1-5-4-7(12)6-2-3-8(13)11-9(6)10-5/h2-4H,1H3,(H2,10,11,12,13) ZNEXOVYMUWFZKD-UHFFFAOYSA-N 50147872 7-Methyl-[1,8]naphthyridine-2,5-diol::7-methyl-1,8-naphthyridine-2,5-diol::CHEMBL441815 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147872&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333135 104036278 CHEMBL441815 ZINC13579582 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271655 CCOc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H14N2O2/c1-2-20-15-9-8-12-14(19)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18,19) XFBOFPZZZNBLGG-UHFFFAOYSA-N 50090691 7-Ethoxy-2-phenyl-[1,8]naphthyridin-4-ol::7-ethoxy-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97895 Adenosine receptor A1 Homo sapiens 2600 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090691&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10706862 103989152 CHEMBL97895 ZINC13579528 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271656 Nc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C14H11N3O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17,18) JFABDXYOYFAMJL-UHFFFAOYSA-N 50090683 7-Amino-2-phenyl-1H-[1,8]naphthyridin-4-one::7-Amino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102430 Adenosine receptor A1 Homo sapiens 3400 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090683&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14686958 103989144 CHEMBL102430 ZINC13809324 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271657 Oc1cc(nc2nc(ccc12)N1CCNCC1)-c1ccccc1 InChI=1S/C18H18N4O/c23-16-12-15(13-4-2-1-3-5-13)20-18-14(16)6-7-17(21-18)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23) LFNPFSAOGFSWNR-UHFFFAOYSA-N 50147874 2-Phenyl-7-piperazin-1-yl-[1,8]naphthyridin-4-ol::CHEMBL102017 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147874&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11255221 104036280 CHEMBL102017 ZINC13579555 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271665 Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1 InChI=1S/C21H23N3/c1-15-12-13-18-20(23-17-10-6-3-7-11-17)14-19(24-21(18)22-15)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,22,23,24) NCXRGWNKMATFFY-UHFFFAOYSA-N 50090704 CHEMBL97624::Cyclohexyl-(7-methyl-2-phenyl-[1,8]naphthyridin-4-yl)-amine::N-cyclohexyl-7-methyl-2-phenyl-1,8-naphthyridin-4-amine Adenosine receptor A1 Homo sapiens 560 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090704&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10757861 103989165 CHEMBL97624 ZINC13579513 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271671 Oc1cc(nc2nc(ccc12)N1CCCCC1)-c1ccccc1 InChI=1S/C19H19N3O/c23-17-13-16(14-7-3-1-4-8-14)20-19-15(17)9-10-18(21-19)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,21,23) OEGQXIGPVPYBKC-UHFFFAOYSA-N 50147873 2-Phenyl-7-piperidin-1-yl-[1,8]naphthyridin-4-ol::CHEMBL102178 Adenosine receptor A1 Homo sapiens 7500 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147873&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11289724 104036279 CHEMBL102178 ZINC13579547 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271674 Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1 InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) JSCUNIPKMPNPFX-UHFFFAOYSA-N 50090697 7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol::7-chloro-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97760 Adenosine receptor A1 Homo sapiens 670 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090697&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6105572 103989158 CHEMBL97760 ZINC08582290 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271681 CCOc1cc(nc2n(CC)c(=O)ccc12)-c1ccccc1 InChI=1S/C18H18N2O2/c1-3-20-17(21)11-10-14-16(22-4-2)12-15(19-18(14)20)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3 RCDDAILWTKWNPX-UHFFFAOYSA-N 50147876 5-Ethoxy-1-ethyl-7-phenyl-1H-[1,8]naphthyridin-2-one::CHEMBL323288 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147876&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11277831 104036282 CHEMBL323288 ZINC13579559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271684 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N=[N+]=[N-] InChI=1S/C15H11N5/c1-10-7-8-12-14(19-20-16)9-13(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3 IETPREWZQKFTDO-UHFFFAOYSA-N 50090707 4-Azido-7-methyl-2-phenyl-[1,8]naphthyridine::CHEMBL328334 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090707&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 12063014 103989168 CHEMBL328334 ZINC13579507 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271686 Oc1cc(nc2nc(ccc12)N1CCOCC1)-c1ccccc1 InChI=1S/C18H17N3O2/c22-16-12-15(13-4-2-1-3-5-13)19-18-14(16)6-7-17(20-18)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,19,20,22) IYMKLWDSUIVPMJ-UHFFFAOYSA-N 50147881 7-Morpholin-4-yl-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102491 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147881&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11312833 104036287 CHEMBL102491 ZINC13579551 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271688 CSc1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C16H14N2S/c1-11-8-9-13-15(19-2)10-14(18-16(13)17-11)12-6-4-3-5-7-12/h3-10H,1-2H3 LCHWKAQCEAVIRN-UHFFFAOYSA-N 50147878 7-Methyl-4-methylsulfanyl-2-phenyl-[1,8]naphthyridine::CHEMBL105000 Adenosine receptor A1 Homo sapiens 10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147878&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11437060 104036284 CHEMBL105000 ZINC13579567 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271689 Cc1ccc2c(O)ccnc2n1 InChI=1S/C9H8N2O/c1-6-2-3-7-8(12)4-5-10-9(7)11-6/h2-5H,1H3,(H,10,11,12) JVJJTRYGAHJGAZ-UHFFFAOYSA-N 50147870 7-Methyl-[1,8]naphthyridin-4-ol::7-methyl-1,8-naphthyridin-4-ol::CHEMBL103553 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147870&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5373676 104036276 CHEMBL103553 ZINC13579578 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271690 Cc1ccc2c(O)cc(nc2n1)-c1cccc(c1)[N+]([O-])=O InChI=1S/C15H11N3O3/c1-9-5-6-12-14(19)8-13(17-15(12)16-9)10-3-2-4-11(7-10)18(20)21/h2-8H,1H3,(H,16,17,19) QAVDYADXEMGPAB-UHFFFAOYSA-N 50147864 7-Methyl-2-(3-nitro-phenyl)-[1,8]naphthyridin-4-ol::CHEMBL321769 Adenosine receptor A1 Homo sapiens 2200 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147864&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11391873 104036270 CHEMBL321769 ZINC13579572 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271696 Oc1cc(nc2ncccc12)-c1ccccc1 InChI=1S/C14H10N2O/c17-13-9-12(10-5-2-1-3-6-10)16-14-11(13)7-4-8-15-14/h1-9H,(H,15,16,17) IPVMHKHKTQYJIL-UHFFFAOYSA-N 50090711 2-Phenyl-[1,8]naphthyridin-4-ol::2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97037 Adenosine receptor A1 Homo sapiens 1300 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090711&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 377427 103989172 CHEMBL97037 ZINC05647151 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271700 CN(C)c1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C17H17N3/c1-12-9-10-14-16(20(2)3)11-15(19-17(14)18-12)13-7-5-4-6-8-13/h4-11H,1-3H3 KZPJKIKUNOEASM-UHFFFAOYSA-N 50090693 CHEMBL97665::Dimethyl-(7-methyl-2-phenyl-[1,8]naphthyridin-4-yl)-amine Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090693&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10801510 103989154 CHEMBL97665 ZINC13579511 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271701 CCCc1cc(O)c2ccc(C)nc2n1 InChI=1S/C12H14N2O/c1-3-4-9-7-11(15)10-6-5-8(2)13-12(10)14-9/h5-7H,3-4H2,1-2H3,(H,13,14,15) JAFFZYFREVCDTP-UHFFFAOYSA-N 50147877 7-Methyl-2-propyl-[1,8]naphthyridin-4-ol::7-methyl-2-propyl-1,8-naphthyridin-4-ol::CHEMBL103150 Adenosine receptor A1 Homo sapiens 1447 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147877&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 13155595 104036283 CHEMBL103150 ZINC13579586 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271702 CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1 InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22) JYIITCYTXQXDCX-UHFFFAOYSA-N 50147869 CHEMBL104998::N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide Adenosine receptor A1 Homo sapiens 2000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147869&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10085767 104036275 CHEMBL104998 ZINC13579570 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271714 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N1CCNCC1 InChI=1S/C19H20N4/c1-14-7-8-16-18(23-11-9-20-10-12-23)13-17(22-19(16)21-14)15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3 ZVMUIZUYPSGHHR-UHFFFAOYSA-N 50090696 7-Methyl-2-phenyl-4-piperazin-1-yl-[1,8]naphthyridine::CHEMBL96617 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090696&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10494738 103989157 CHEMBL96617 ZINC13579517 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271715 Oc1cc(nc2[nH]c(=O)ccc12)-c1ccccc1 InChI=1S/C14H10N2O2/c17-12-8-11(9-4-2-1-3-5-9)15-14-10(12)6-7-13(18)16-14/h1-8H,(H2,15,16,17,18) UYSLLPSTKAYJAM-UHFFFAOYSA-N 50090695 7-Phenyl-[1,8]naphthyridine-2,5-diol::CHEMBL97904 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090695&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10537885 103989156 CHEMBL97904 ZINC13579532 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273843 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C19H16Cl2N4/c1-2-3-4-17-22-16-10-9-14(21)11-15(16)19-23-18(24-25(17)19)12-5-7-13(20)8-6-12/h5-11H,2-4H2,1H3 BMPWLQYHGXNWJS-UHFFFAOYSA-N 50149104 5-Butyl-9-chloro-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL339019 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149104&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 17863158 104037263 CHEMBL339019 ZINC27209628 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273865 CCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1 InChI=1S/C14H12N6/c1-2-11-16-13-10(8-15-18-13)14-17-12(19-20(11)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,18) MHWGNSVLNNQWIZ-UHFFFAOYSA-N 50149118 5-Ethyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL340221 Adenosine receptor A1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149118&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 12128799 104037277 CHEMBL340221 ZINC27209955 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273876 OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C16H13ClN6O2/c17-10-6-4-9(5-7-10)14-21-16-13-15(19-8-18-13)20-11(23(16)22-14)2-1-3-12(24)25/h4-8H,1-3H2,(H,18,19)(H,24,25) VNYSEWPMOHKCQD-UHFFFAOYSA-N 50149124 4-[8-(4-Chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purin-5-yl]-butyric acid::CHEMBL125340 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149124&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9928653 104037283 CHEMBL125340 ZINC27210474 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273877 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C19H17ClN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3 RRVQUSBAKWVBSF-UHFFFAOYSA-N 50149111 5-Butyl-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL339529 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149111&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9902350 104037270 CHEMBL339529 ZINC27212449 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273878 COCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C21H18N6O/c1-28-12-11-17-24-20-18(22-13-23-20)21-25-19(26-27(17)21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,22,23) ZCKQZNBYPKNEJN-UHFFFAOYSA-N 50149106 8-Biphenyl-4-yl-5-(2-methoxy-ethyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL125147 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149106&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9929288 104037265 CHEMBL125147 ZINC27211492 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273885 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccccc1 InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-11-10-14(20)12-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3 PEZCSWMLDAUORD-UHFFFAOYSA-N 50149123 5-Butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL339556 Adenosine receptor A1 Homo sapiens >6200 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149123&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10131882 104037282 CHEMBL339556 ZINC27213350 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273887 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(F)cc1 InChI=1S/C16H15FN6/c1-2-3-4-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,21) RSVAACUKXIGIGQ-UHFFFAOYSA-N 50149112 5-Butyl-2-(4-fluoro-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL339218 Adenosine receptor A1 Homo sapiens 610 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149112&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9839670 104037271 CHEMBL339218 ZINC03945777 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273904 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22) IOICVMMVGWPRCC-UHFFFAOYSA-N 50117215 5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123705 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117215&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9863684 104010790 CHEMBL123705 ZINC13475521 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271717 COc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2O2/c1-19-14-8-7-11-13(18)9-12(16-15(11)17-14)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18) WWOBOTABDQDBGO-UHFFFAOYSA-N 50090684 7-Methoxy-2-phenyl-[1,8]naphthyridin-4-ol::7-methoxy-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL329294 Adenosine receptor A1 Homo sapiens 2000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090684&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10264202 103989145 CHEMBL329294 ZINC13579530 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273906 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C16H15ClN6/c1-2-3-4-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,21) JNERZSAIKWMKMW-UHFFFAOYSA-N 50149126 5-Butyl-2-(4-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL122037 Adenosine receptor A1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149126&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9858553 104037285 CHEMBL122037 ZINC03945778 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273918 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Br)cc1 InChI=1S/C19H17BrN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3 WCRWQPZNNMWWDZ-UHFFFAOYSA-N 50149122 2-(4-Bromo-phenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL339066 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149122&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10156654 104037281 CHEMBL339066 ZINC01553316 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273919 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1 InChI=1S/C16H16N6/c1-2-3-9-13-18-15-12(10-17-20-15)16-19-14(21-22(13)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20) AYOYRISPVKKGIT-UHFFFAOYSA-N 50145230 5-Butyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL340657 Adenosine receptor A1 Homo sapiens >27 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145230&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 12128801 104034071 CHEMBL340657 ZINC03945776 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273927 OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C22H18N6O2/c29-18(30)8-4-7-17-25-21-19(23-13-24-21)22-26-20(27-28(17)22)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H,23,24)(H,29,30) OYQOWKWBEOPZQB-UHFFFAOYSA-N 50149129 4-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-5-yl)-butyric acid::CHEMBL332800 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149129&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9930740 104037288 CHEMBL332800 ZINC27211488 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273940 CCCCc1nc2ccccc2c2nc(nn12)-c1ccccc1 InChI=1S/C19H18N4/c1-2-3-13-17-20-16-12-8-7-11-15(16)19-21-18(22-23(17)19)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 SDCHIFHLMZWSKY-UHFFFAOYSA-N 50145226 5-Butyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL340580 Adenosine receptor A1 Homo sapiens 2600 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145226&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 17863210 104034067 CHEMBL340580 ZINC27213781 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273945 CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1 InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-12-14(20)10-11-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3 ZVVHMFIRNDDYIF-UHFFFAOYSA-N 50149115 5-Butyl-8-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL340093 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149115&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 17863209 104037274 CHEMBL340093 ZINC27208161 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273947 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C22H20N6/c1-2-3-9-18-25-21-19(23-14-24-21)22-26-20(27-28(18)22)17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,23,24) IFTUCNITHWUROU-UHFFFAOYSA-N 50117219 8-Biphenyl-4-yl-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123346 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117219&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11046842 104010794 CHEMBL123346 ZINC13475522 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273957 CCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1 InChI=1S/C15H14N6/c1-2-6-12-17-14-11(9-16-19-14)15-18-13(20-21(12)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,19) KOSSEJPYQJHMFH-UHFFFAOYSA-N 50149105 2-Phenyl-5-propyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL124137 Adenosine receptor A1 Homo sapiens >38 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149105&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 12128800 104037264 CHEMBL124137 ZINC27212437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273961 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(C)cc1 InChI=1S/C17H18N6/c1-3-4-5-14-19-16-13(10-18-21-16)17-20-15(22-23(14)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,21) HIZGJGZWISZREI-UHFFFAOYSA-N 50149110 5-Butyl-2-p-tolyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL124725 Adenosine receptor A1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149110&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9901136 104037269 CHEMBL124725 ZINC03945779 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50266440 CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13 InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3 XKGPHJMKJBEURD-UHFFFAOYSA-N 50445614 CHEMBL3104093 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2014.05.016 10.7270/Q28K7BQ5 24863744 Rajagopalan, P; Tracey, H; Chen, Z; Bandyopadhyaya, A; Veeraraghavan, S; Rajagopalan, DR; Salvemini, D; McPhee, I; Viswanadha, S; Rajagopalan, R University of Missouri http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445614&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73213196 194943510 CHEMBL3104093 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50273232 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27) DBWQRFKXNBVPGA-UHFFFAOYSA-N 50229885 CHEMBL260331::CHEMBL506685::N-(benzo[d][1,3]dioxol-5-yl)-2-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy)acetamide::N-Benzo[1,3]dioxol-5-yl-2-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetamide Adenosine receptor A1 Homo sapiens 248 ChEMBL 10.1016/j.bmcl.2004.03.110 10.7270/Q2QF8SBN 15177485 Rafiee, E; Tangestaninejad, S; Habibi, MH; Mirkhani, V University of Isfahan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229885&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44451245 104098216 CHEMBL506685CHEMBL260331 390 ZINC13559747 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271136 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A1 Homo sapiens 287.0 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50271167 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A1 Homo sapiens 255 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50272328 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)nc(nc12)C#Cc1ccccc1 InChI=1S/C27H25N5O4/c33-14-20-23(34)24(35)27(36-20)32-15-28-22-25(29-19-13-18(19)17-9-5-2-6-10-17)30-21(31-26(22)32)12-11-16-7-3-1-4-8-16/h1-10,15,18-20,23-24,27,33-35H,13-14H2,(H,29,30,31)/t18?,19?,20-,23-,24-,27-/m1/s1 ZUZUSCXGJHXEMB-WXAVEZDYSA-N 50047917 CHEMBL3311282 Adenosine receptor A1 Homo sapiens 124 ChEMBL 10.1016/j.bmcl.2014.06.006 10.7270/Q2V40WVQ 24969016 Tosh, DK; Paoletta, S; Chen, Z; Moss, SM; Gao, ZG; Salvemini, D; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047917&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118707149 103978481 CHEMBL3311282 ZINC13827935 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293920 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1 InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-20(13-11-18)36-16-21-28-25(37-31-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) MTTFKOZHQXOLAS-UHFFFAOYSA-N 50159972 1,3-Dipropyl-8-[4-(5-p-tolyl-[1,2,4]oxadiazol-3-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL180236 Adenosine receptor A1 Homo sapiens 113 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159972&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390523 104046365 CHEMBL180236 ZINC28339873 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293922 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) JNJWKLSCJORTLT-UHFFFAOYSA-N 50159970 8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL361826 Adenosine receptor A1 Homo sapiens 1160 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159970&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10311510 104046363 CHEMBL361826 ZINC28130291 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293925 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) LKWRGPUPPVWOTK-UHFFFAOYSA-N 50159959 8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL178172 Adenosine receptor A1 Homo sapiens 1830 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159959&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390545 104046352 CHEMBL178172 ZINC28122384 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293926 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(c2)C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-12-35-24-21(25(37)36(13-4-2)26(35)38)32-22(33-24)16-8-10-19(11-9-16)39-15-20-31-23(34-40-20)17-6-5-7-18(14-17)27(28,29)30/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,32,33) RRCWLVRYHSAAPF-UHFFFAOYSA-N 50159965 1,3-Dipropyl-8-{4-[3-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL181067 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159965&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390571 104046358 CHEMBL181067 ZINC28334461 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293928 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C#N)cc1 InChI=1S/C27H25N7O4/c1-3-13-33-25-22(26(35)34(14-4-2)27(33)36)30-23(31-25)18-9-11-20(12-10-18)37-16-21-29-24(32-38-21)19-7-5-17(15-28)6-8-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,30,31) LHHFHCIWESVLMP-UHFFFAOYSA-N 50159980 4-{5-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxymethyl]-[1,2,4]oxadiazol-3-yl}-benzonitrile::CHEMBL434334 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159980&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390551 104046373 CHEMBL434334 ZINC28342967 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293932 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-9-11-17(12-10-16)39-15-20-31-23(34-40-20)18-7-5-6-8-19(18)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33) RZLNRVRBNKCEQR-UHFFFAOYSA-N 50159981 1,3-Dipropyl-8-{4-[3-(2-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL183183 Adenosine receptor A1 Homo sapiens 473.0 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159981&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390559 104046374 CHEMBL183183 ZINC28343420 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293934 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(OC)c2)cc1 InChI=1S/C27H28N6O5/c1-4-13-32-25-22(26(34)33(14-5-2)27(32)35)29-23(30-25)17-9-11-19(12-10-17)37-16-21-28-24(31-38-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30) QILHXEYZDONICH-UHFFFAOYSA-N 50159983 8-{4-[3-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL263494 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159983&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10052252 104046376 CHEMBL263494 ZINC28137188 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293937 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1 InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30) AHJHSANRNGKAFS-UHFFFAOYSA-N 50159975 8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL180693 Adenosine receptor A1 Homo sapiens >200 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10196114 104046368 CHEMBL180693 ZINC06717057 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293940 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-13-35-23-21(25(37)36(14-4-2)26(35)38)32-22(33-23)16-7-11-19(12-8-16)39-15-20-31-24(40-34-20)17-5-9-18(10-6-17)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33) SEEWEGGTAWVJKR-UHFFFAOYSA-N 50159968 1,3-Dipropyl-8-{4-[5-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL178662 Adenosine receptor A1 Homo sapiens 5180 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159968&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958541 104046361 CHEMBL178662 ZINC28130893 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293941 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(c2)C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-12-35-23-21(25(37)36(13-4-2)26(35)38)32-22(33-23)16-8-10-19(11-9-16)39-15-20-31-24(40-34-20)17-6-5-7-18(14-17)27(28,29)30/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,32,33) NANDHAUMIKXADP-UHFFFAOYSA-N 50159984 1,3-Dipropyl-8-{4-[5-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL360366 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159984&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390615 104046377 CHEMBL360366 ZINC28131629 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293942 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1 InChI=1S/C27H25N7O4/c1-3-13-33-24-22(26(35)34(14-4-2)27(33)36)30-23(31-24)18-9-11-20(12-10-18)37-16-21-29-25(38-32-21)19-7-5-17(15-28)6-8-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,30,31) HOUSHONDWSCQEU-UHFFFAOYSA-N 50159969 4-{3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxymethyl]-[1,2,4]oxadiazol-5-yl}-benzonitrile::CHEMBL181925 Adenosine receptor A1 Homo sapiens 288 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159969&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390651 104046362 CHEMBL181925 ZINC28333802 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293946 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) JNJWKLSCJORTLT-UHFFFAOYSA-N 50159970 8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL361826 Adenosine receptor A1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159970&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10311510 104046363 CHEMBL361826 ZINC28130291 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293953 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(F)cc2)cc1 InChI=1S/C26H25FN6O4/c1-3-13-32-23-21(25(34)33(14-4-2)26(32)35)29-22(30-23)16-7-11-19(12-8-16)36-15-20-28-24(37-31-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) LHMYROXNDKDUQN-UHFFFAOYSA-N 50159971 8-{4-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL362268 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159971&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10164201 104046364 CHEMBL362268 ZINC28342273 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293961 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1 InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30) AHJHSANRNGKAFS-UHFFFAOYSA-N 50159975 8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL180693 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10196114 104046368 CHEMBL180693 ZINC06717057 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293963 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2C)cc1 InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-19(13-11-18)36-16-21-28-25(37-31-21)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) IYTGEKISEKLURT-UHFFFAOYSA-N 50159966 1,3-Dipropyl-8-[4-(5-o-tolyl-[1,2,4]oxadiazol-3-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL181873 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159966&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958522 104046359 CHEMBL181873 ZINC28333475 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293964 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(C)c2)cc1 InChI=1S/C27H28N6O4/c1-4-13-32-25-22(26(34)33(14-5-2)27(32)35)29-23(30-25)18-9-11-20(12-10-18)36-16-21-28-24(31-37-21)19-8-6-7-17(3)15-19/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30) RAYVCIZUKXEHDM-UHFFFAOYSA-N 50159982 1,3-Dipropyl-8-[4-(3-m-tolyl-[1,2,4]oxadiazol-5-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL181630 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159982&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390547 104046375 CHEMBL181630 ZINC28130285 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293967 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293971 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C)cc1 InChI=1S/C27H28N6O4/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)18-10-12-19(13-11-18)36-16-21-28-24(31-37-21)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) HVVIGJWBRVNGNX-UHFFFAOYSA-N 50159979 1,3-Dipropyl-8-[4-(3-o-tolyl-[1,2,4]oxadiazol-5-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL181400 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159979&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390522 104046372 CHEMBL181400 ZINC28343912 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293975 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(F)c2)cc1 InChI=1S/C26H25FN6O4/c1-3-12-32-23-21(25(34)33(13-4-2)26(32)35)29-22(30-23)16-8-10-19(11-9-16)36-15-20-28-24(37-31-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30) YUSPEUJNXAIUCW-UHFFFAOYSA-N 50159976 8-{4-[5-(3-Fluoro-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL362374 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159976&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390669 104046369 CHEMBL362374 ZINC28334199 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293979 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(C)cc2)cc1 InChI=1S/C27H28N6O4/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)18-10-12-20(13-11-18)36-16-21-28-24(31-37-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) OIOHCERAXJETSD-UHFFFAOYSA-N 50159974 1,3-Dipropyl-8-[4-(3-p-tolyl-[1,2,4]oxadiazol-5-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL180559 Adenosine receptor A1 Homo sapiens 643.0 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159974&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958676 104046367 CHEMBL180559 ZINC28343592 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50277785 Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28) BTPRCXIXYZWERG-UHFFFAOYSA-N 50151188 5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)piperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine::5-[4-(5-Chloro-1-methyl-3-trifluoromethyl-1H-pyrazol-4-ylmethyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine::CHEMBL189192 Adenosine receptor A1 Homo sapiens 10000 ChEMBL 10.1021/jm0498405 10.7270/Q2805235 15294001 Vu, CB; Peng, B; Kumaravel, G; Smits, G; Jin, X; Phadke, D; Engber, T; Huang, C; Reilly, J; Tam, S; Grant, D; Hetu, G; Chen, L; Zhang, J; Petter, RC Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151188&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11386134 104039460 CHEMBL189192 ZINC28458962 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285110 Cc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15) VCJVBLBICBKOAH-UHFFFAOYSA-N 50427586 CHEMBL2322916 Adenosine receptor A1 Homo sapiens 70 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427586&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71601630 164156461 CHEMBL2322916 ZINC95582590 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285111 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20) OSXQTDKHWVGIFS-UHFFFAOYSA-N 50427585 CHEMBL2322917 Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427585&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71601631 164156460 CHEMBL2322917 ZINC95581129 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285112 Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5/c19-18-17-15(12-23(22-17)14-9-5-2-6-10-14)20-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21) MLXRXENPLDYOCG-UHFFFAOYSA-N 50427584 CHEMBL2322918 Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427584&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71601632 164156459 CHEMBL2322918 ZINC95580878 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285113 Nc1ncnc2cn(nc12)-c1ccccc1 InChI=1S/C11H9N5/c12-11-10-9(13-7-14-11)6-16(15-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14) COEIPYGQWWKYSZ-UHFFFAOYSA-N 50055082 CHEMBL3317555 Adenosine receptor A1 Homo sapiens 80 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055082&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708214 313069856 CHEMBL3317555 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285114 CCc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C13H13N5/c1-2-11-15-10-8-18(9-6-4-3-5-7-9)17-12(10)13(14)16-11/h3-8H,2H2,1H3,(H2,14,15,16) COXPMWASVSNHJG-UHFFFAOYSA-N 50055083 CHEMBL3317556 Adenosine receptor A1 Homo sapiens 90 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055083&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708215 313069857 CHEMBL3317556 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285115 Nc1nc(Cc2ccc3OCOc3c2)nc2cn(nc12)-c1ccccc1 InChI=1S/C19H15N5O2/c20-19-18-14(10-24(23-18)13-4-2-1-3-5-13)21-17(22-19)9-12-6-7-15-16(8-12)26-11-25-15/h1-8,10H,9,11H2,(H2,20,21,22) GDAMMKRSQJDKCJ-UHFFFAOYSA-N 50055084 CHEMBL3317559 Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055084&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708218 313069858 CHEMBL3317559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289513 CC(C)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-14(2)19(24)23-20-21-17(15-9-5-3-6-10-15)13-18(22-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23,24) AGCKGTMTDBKSHH-UHFFFAOYSA-N 50157654 CHEMBL376778::LUF-5737::N-(4,6-diphenylpyrimidin-2-yl)isobutyramide Adenosine receptor A1 Homo sapiens 8.9 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157654&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11381543 104044577 CHEMBL376778 ZINC06716087 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289514 CC(C)(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H21N3O/c1-21(2,3)20(25)24-18-14-17(15-10-6-4-7-11-15)22-19(23-18)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,22,23,24,25) KJCBHRQSYMTEIS-UHFFFAOYSA-N 50157655 CHEMBL222503::N-(2,6-diphenylpyrimidin-4-yl)-2,2-dimethylpropionamide Adenosine receptor A1 Homo sapiens 28 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157655&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11473008 104044578 CHEMBL222503 ZINC13586458 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289515 CCC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H21N3O/c1-3-15(2)21(25)24-19-14-18(16-10-6-4-7-11-16)22-20(23-19)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H,22,23,24,25) OWPSSUJQRJLQHE-UHFFFAOYSA-N 50157656 CHEMBL223977::LUF-5767::N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutyramide Adenosine receptor A1 Homo sapiens 2.2 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157656&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11427528 104044579 CHEMBL223977 ZINC13586457 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289516 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1 InChI=1S/C22H21N3O/c26-22(18-13-7-8-14-18)25-20-15-19(16-9-3-1-4-10-16)23-21(24-20)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26) JIIIIMMXDNQSGZ-UHFFFAOYSA-N 50157657 CHEMBL375631::cyclopentanecarboxylic acid (2,6-diphenylpyrimidin-4-yl)amide Adenosine receptor A1 Homo sapiens 2.1 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157657&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11462033 104044580 CHEMBL375631 ZINC06716090 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289517 CC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-14(2)20(24)23-18-13-17(15-9-5-3-6-10-15)21-19(22-18)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23,24) ONJOWWUQGQUDTK-UHFFFAOYSA-N 50157658 CHEMBL222433::N-(2,6-diphenylpyrimidin-4-yl)isobutyramide Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157658&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11313151 104044581 CHEMBL222433 ZINC13586454 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289520 CCC(CC)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H23N3O/c1-3-16(4-2)21(26)25-22-23-19(17-11-7-5-8-12-17)15-20(24-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26) YOARGGKKYZIYSU-UHFFFAOYSA-N 50157660 CHEMBL374366::N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide Adenosine receptor A1 Homo sapiens 27 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157660&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11290921 104044583 CHEMBL374366 ZINC13586474 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285116 COc1ccccc1Cc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C19H17N5O/c1-25-16-10-6-5-7-13(16)11-17-21-15-12-24(14-8-3-2-4-9-14)23-18(15)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22) OYGJIKRTCDDVRM-UHFFFAOYSA-N 50055085 CHEMBL3317560 Adenosine receptor A1 Homo sapiens 375 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055085&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708219 313069859 CHEMBL3317560 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285117 COc1cccc(Cc2nc(N)c3nn(cc3n2)-c2ccccc2)c1 InChI=1S/C19H17N5O/c1-25-15-9-5-6-13(10-15)11-17-21-16-12-24(14-7-3-2-4-8-14)23-18(16)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22) PBMYJLFBUPGSTI-UHFFFAOYSA-N 50055086 CHEMBL3317561 Adenosine receptor A1 Homo sapiens 90 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055086&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708220 313069860 CHEMBL3317561 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285118 Nc1nc(Cc2ccccc2F)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H14FN5/c19-14-9-5-4-6-12(14)10-16-21-15-11-24(13-7-2-1-3-8-13)23-17(15)18(20)22-16/h1-9,11H,10H2,(H2,20,21,22) RGBNONBGSOJVQN-UHFFFAOYSA-N 50055087 CHEMBL3317565 Adenosine receptor A1 Homo sapiens 35 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055087&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708225 313069861 CHEMBL3317565 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285119 Nc1nc(Cc2ccccc2Cl)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H14ClN5/c19-14-9-5-4-6-12(14)10-16-21-15-11-24(13-7-2-1-3-8-13)23-17(15)18(20)22-16/h1-9,11H,10H2,(H2,20,21,22) RMRJZSGPWQFTGV-UHFFFAOYSA-N 50055088 CHEMBL3317566 Adenosine receptor A1 Homo sapiens 155 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055088&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708226 313069862 CHEMBL3317566 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285120 Nc1nc(Cc2ccccc2O)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5O/c19-18-17-14(11-23(22-17)13-7-2-1-3-8-13)20-16(21-18)10-12-6-4-5-9-15(12)24/h1-9,11,24H,10H2,(H2,19,20,21) ZWUYFHCLRNNJEI-UHFFFAOYSA-N 50055089 CHEMBL3317554 Adenosine receptor A1 Homo sapiens 64 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055089&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708213 313069863 CHEMBL3317554 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285121 Nc1nc(Cc2cccc(O)c2)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5O/c19-18-17-15(11-23(22-17)13-6-2-1-3-7-13)20-16(21-18)10-12-5-4-8-14(24)9-12/h1-9,11,24H,10H2,(H2,19,20,21) HBCWGZIBWZBFED-UHFFFAOYSA-N 50055090 CHEMBL3317568 Adenosine receptor A1 Homo sapiens 312 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055090&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708228 313069864 CHEMBL3317568 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285122 Nc1nc(\C=C\c2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C19H15N5/c20-19-18-16(13-24(23-18)15-9-5-2-6-10-15)21-17(22-19)12-11-14-7-3-1-4-8-14/h1-13H,(H2,20,21,22)/b12-11+ LJQDDLDNPRPDEF-VAWYXSNFSA-N 50055091 CHEMBL3317571 Adenosine receptor A1 Homo sapiens 480 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055091&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708231 313069865 CHEMBL3317571 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285123 COc1ccc(CCc2nc(N)c3nn(cc3n2)-c2ccccc2)cc1 InChI=1S/C20H19N5O/c1-26-16-10-7-14(8-11-16)9-12-18-22-17-13-25(15-5-3-2-4-6-15)24-19(17)20(21)23-18/h2-8,10-11,13H,9,12H2,1H3,(H2,21,22,23) COFHYHXQIXJVNT-UHFFFAOYSA-N 50055092 CHEMBL3317572 Adenosine receptor A1 Homo sapiens 380 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055092&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708232 313069866 CHEMBL3317572 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285124 Nc1nc(CCc2ccc(O)cc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C19H17N5O/c20-19-18-16(12-24(23-18)14-4-2-1-3-5-14)21-17(22-19)11-8-13-6-9-15(25)10-7-13/h1-7,9-10,12,25H,8,11H2,(H2,20,21,22) NNGWGTIFJWXIKE-UHFFFAOYSA-N 50055093 CHEMBL3317573 Adenosine receptor A1 Homo sapiens 420 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055093&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708233 313069867 CHEMBL3317573 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285125 Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5/c21-20-19-17(14-25(24-19)16-11-5-2-6-12-16)22-18(23-20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14H,7,10,13H2,(H2,21,22,23) QXNZRRSDCMNJDB-UHFFFAOYSA-N 50055094 CHEMBL3317574 Adenosine receptor A1 Homo sapiens 5.3 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055094&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708234 313069868 CHEMBL3317574 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285126 COc1ccccc1CCCc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C21H21N5O/c1-27-18-12-6-5-8-15(18)9-7-13-19-23-17-14-26(16-10-3-2-4-11-16)25-20(17)21(22)24-19/h2-6,8,10-12,14H,7,9,13H2,1H3,(H2,22,23,24) PPZARYOCIWUJNS-UHFFFAOYSA-N 50055095 CHEMBL3317575 Adenosine receptor A1 Homo sapiens 1.3 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055095&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708235 313069869 CHEMBL3317575 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285127 COc1cccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)c1 InChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24) ZCPXGQGRCJYMLF-UHFFFAOYSA-N 50055096 CHEMBL3317576 Adenosine receptor A1 Homo sapiens 0.150000 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055096&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708236 313069870 CHEMBL3317576 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285128 COc1ccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)cc1 InChI=1S/C21H21N5O/c1-27-17-12-10-15(11-13-17)6-5-9-19-23-18-14-26(16-7-3-2-4-8-16)25-20(18)21(22)24-19/h2-4,7-8,10-14H,5-6,9H2,1H3,(H2,22,23,24) JVYZZVMFKUDDFA-UHFFFAOYSA-N 50055097 CHEMBL3317577 Adenosine receptor A1 Homo sapiens 16 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055097&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708237 313069871 CHEMBL3317577 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285129 Nc1nc(CCCc2ccccc2O)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5O/c21-20-19-16(13-25(24-19)15-9-2-1-3-10-15)22-18(23-20)12-6-8-14-7-4-5-11-17(14)26/h1-5,7,9-11,13,26H,6,8,12H2,(H2,21,22,23) BKWRHOCWDPOKTI-UHFFFAOYSA-N 50055098 CHEMBL3317578 Adenosine receptor A1 Homo sapiens 0.540000 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055098&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708238 313069872 CHEMBL3317578 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285130 Nc1nc(CCCc2cccc(O)c2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-8-2-1-3-9-15)22-18(23-20)11-5-7-14-6-4-10-16(26)12-14/h1-4,6,8-10,12-13,26H,5,7,11H2,(H2,21,22,23) SHQKGVUFKLDRQI-UHFFFAOYSA-N 50055099 CHEMBL3317579 Adenosine receptor A1 Homo sapiens 0.220000 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055099&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708239 313069873 CHEMBL3317579 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285131 Nc1nc(CCCc2ccc(O)cc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-6-2-1-3-7-15)22-18(23-20)8-4-5-14-9-11-16(26)12-10-14/h1-3,6-7,9-13,26H,4-5,8H2,(H2,21,22,23) OOMFSONRFBINNP-UHFFFAOYSA-N 50055100 CHEMBL3317580 Adenosine receptor A1 Homo sapiens 18 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055100&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708240 313069874 CHEMBL3317580 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285160 Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5/c21-20-19-17(14-25(24-19)16-11-5-2-6-12-16)22-18(23-20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14H,7,10,13H2,(H2,21,22,23) QXNZRRSDCMNJDB-UHFFFAOYSA-N 50055094 CHEMBL3317574 Adenosine receptor A1 Homo sapiens 43 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055094&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708234 313069868 CHEMBL3317574 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285161 COc1ccccc1CCCc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C21H21N5O/c1-27-18-12-6-5-8-15(18)9-7-13-19-23-17-14-26(16-10-3-2-4-11-16)25-20(17)21(22)24-19/h2-6,8,10-12,14H,7,9,13H2,1H3,(H2,22,23,24) PPZARYOCIWUJNS-UHFFFAOYSA-N 50055095 CHEMBL3317575 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055095&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708235 313069869 CHEMBL3317575 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285162 COc1cccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)c1 InChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24) ZCPXGQGRCJYMLF-UHFFFAOYSA-N 50055096 CHEMBL3317576 Adenosine receptor A1 Homo sapiens 2.4 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055096&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708236 313069870 CHEMBL3317576 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285163 Nc1nc(CCCc2ccccc2O)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5O/c21-20-19-16(13-25(24-19)15-9-2-1-3-10-15)22-18(23-20)12-6-8-14-7-4-5-11-17(14)26/h1-5,7,9-11,13,26H,6,8,12H2,(H2,21,22,23) BKWRHOCWDPOKTI-UHFFFAOYSA-N 50055098 CHEMBL3317578 Adenosine receptor A1 Homo sapiens 4.3 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055098&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708238 313069872 CHEMBL3317578 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50285164 Nc1nc(CCCc2cccc(O)c2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-8-2-1-3-9-15)22-18(23-20)11-5-7-14-6-4-10-16(26)12-14/h1-4,6,8-10,12-13,26H,5,7,11H2,(H2,21,22,23) SHQKGVUFKLDRQI-UHFFFAOYSA-N 50055099 CHEMBL3317579 Adenosine receptor A1 Homo sapiens 2.9 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055099&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708239 313069873 CHEMBL3317579 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289523 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCC1 InChI=1S/C21H19N3O/c25-20(17-12-7-13-17)24-21-22-18(15-8-3-1-4-9-15)14-19(23-21)16-10-5-2-6-11-16/h1-6,8-11,14,17H,7,12-13H2,(H,22,23,24,25) FCILSIOUGDWQSA-UHFFFAOYSA-N 50157661 CHEMBL222771::cyclobutane carboxylic acid (4,6-diphenylpyrimidin-2-yl)amide Adenosine receptor A1 Homo sapiens 107 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157661&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11221189 104044584 CHEMBL222771 ZINC13586476 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289524 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CC1 InChI=1S/C20H17N3O/c24-20(16-11-12-16)23-18-13-17(14-7-3-1-4-8-14)21-19(22-18)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,21,22,23,24) UOAGLWXCVMDEEN-UHFFFAOYSA-N 50157662 CHEMBL388113::cyclopropanecarboxylic acid (2,6-diphenylpyrimidin-4-yl)amide Adenosine receptor A1 Homo sapiens 7.6 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157662&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11461202 104044585 CHEMBL388113 ZINC13586459 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289525 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-2-9-19(24)22-18-14-17(15-10-5-3-6-11-15)21-20(23-18)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24) UBJLQDSZSYHXLE-UHFFFAOYSA-N 50157659 CHEMBL222384::N-(2,6-diphenylpyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 18 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157659&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11359018 104044582 CHEMBL222384 ZINC13586452 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289530 CCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C19H17N3O/c1-2-18(23)22-19-20-16(14-9-5-3-6-10-14)13-17(21-19)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23) AZXIPRTZIQWIHR-UHFFFAOYSA-N 50157663 CHEMBL222718::N-(4,6-diphenylpyrimidin-2-yl)propionamide Adenosine receptor A1 Homo sapiens 46 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157663&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11278089 104044586 CHEMBL222718 ZINC13586469 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289531 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCCC1 InChI=1S/C23H23N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,24,25,26,27) IBKAQSVTVQTIDD-UHFFFAOYSA-N 50157664 CHEMBL222496::cyclohexanecarboxylic acid (2,6-diphenylpyrimidin-4-yl)amide Adenosine receptor A1 Homo sapiens 16 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157664&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11348867 104044587 CHEMBL222496 ZINC13586461 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289533 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCC1 InChI=1S/C21H19N3O/c25-21(17-12-7-13-17)24-19-14-18(15-8-3-1-4-9-15)22-20(23-19)16-10-5-2-6-11-16/h1-6,8-11,14,17H,7,12-13H2,(H,22,23,24,25) YWUOMRGHKANFJN-UHFFFAOYSA-N 50157666 CHEMBL223978::cyclobutanecarboxylic acid (2,6-diphenylpyrimidin-4-yl)amide Adenosine receptor A1 Homo sapiens 6.5 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157666&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11244376 104044589 CHEMBL223978 ZINC13586460 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289534 CCCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H21N3O/c1-2-3-14-20(25)23-19-15-18(16-10-6-4-7-11-16)22-21(24-19)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23,24,25) AJUVVGPOXGXRAI-UHFFFAOYSA-N 50157668 CHEMBL222432::hexanoic Acid (2,6-diphenylpyrimidin-4-yl)amide Adenosine receptor A1 Homo sapiens 109 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157668&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11404772 104044591 CHEMBL222432 ZINC34800912 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289535 Clc1cccc(c1)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C23H16ClN3O/c24-19-13-7-12-18(14-19)22(28)27-23-25-20(16-8-3-1-4-9-16)15-21(26-23)17-10-5-2-6-11-17/h1-15H,(H,25,26,27,28) BYALFPUQWRIWML-UHFFFAOYSA-N 50157667 CHEMBL426390::N-(4,6-diphenylpyrimidin-2-yl)-3-chlorobenzamide Adenosine receptor A1 Homo sapiens 368 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157667&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11234532 104044590 CHEMBL426390 ZINC13586467 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289536 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)c1ccccc1 InChI=1S/C23H17N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)18-12-6-2-7-13-18/h1-16H,(H,24,25,26,27) GQFWFPVBIHHTGX-UHFFFAOYSA-N 50157670 CHEMBL441555::N-(2,6-diphenylpyrimidin-4-yl)benzamide Adenosine receptor A1 Homo sapiens 671 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157670&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11245073 104044593 CHEMBL441555 ZINC13586447 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289537 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1 InChI=1S/C22H21N3O/c26-21(18-13-7-8-14-18)25-22-23-19(16-9-3-1-4-10-16)15-20(24-22)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26) NVVQQBAOOOCQIE-UHFFFAOYSA-N 50157669 CHEMBL225460::cyclopentane carboxylic acid (4,6diphenylpyrimidin-2-yl)amide Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157669&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11427880 104044592 CHEMBL225460 ZINC06716088 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289540 CCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-2-9-19(24)23-20-21-17(15-10-5-3-6-11-15)14-18(22-20)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24) IGXLAZUQYPCBKI-UHFFFAOYSA-N 50157673 CHEMBL222719::LUF-5735::N-(4,6-diphenylpyrimidin-2-yl)butyramide Adenosine receptor A1 Homo sapiens 3.7 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157673&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11392960 104044596 CHEMBL222719 ZINC06716086 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289541 CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H23N3O/c1-3-16(4-2)22(26)25-20-15-19(17-11-7-5-8-12-17)23-21(24-20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26) ZMYSFVQFZFGCMP-UHFFFAOYSA-N 50157671 CHEMBL390535::N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide Adenosine receptor A1 Homo sapiens 6.4 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157671&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11371386 104044594 CHEMBL390535 ZINC13586456 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289549 CC(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H21N3O/c1-15(2)13-20(25)24-21-22-18(16-9-5-3-6-10-16)14-19(23-21)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,22,23,24,25) RLCNDGHLHOXEDS-UHFFFAOYSA-N 50157677 CHEMBL376672::N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide Adenosine receptor A1 Homo sapiens 25 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157677&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11301995 104044600 CHEMBL376672 ZINC13586473 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289551 CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C18H15N3O/c1-13(22)19-18-20-16(14-8-4-2-5-9-14)12-17(21-18)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22) ZDCIIHIXQUEUCV-UHFFFAOYSA-N 50157675 CHEMBL225244::N-(4,5-diphenylpyrimidin-2-yl)acetamide Adenosine receptor A1 Homo sapiens 483 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157675&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 12253310 104044598 CHEMBL225244 ZINC13586468 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289552 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCCC1 InChI=1S/C23H23N3O/c27-22(19-14-8-3-9-15-19)26-23-24-20(17-10-4-1-5-11-17)16-21(25-23)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,24,25,26,27) GGZRKRPYGJABPL-UHFFFAOYSA-N 50157678 CHEMBL222092::cyclohexanecarboxylic acid (4,6-diphenylpyrimidin-2-yl)amide Adenosine receptor A1 Homo sapiens 119 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157678&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11428282 104044601 CHEMBL222092 ZINC13586477 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289554 CCCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H21N3O/c1-2-3-14-20(25)24-21-22-18(16-10-6-4-7-11-16)15-19(23-21)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23,24,25) USYDGSXEKYPSDH-UHFFFAOYSA-N 50157679 CHEMBL221407::pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide Adenosine receptor A1 Homo sapiens 28 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157679&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11450364 104044602 CHEMBL221407 ZINC13586470 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289555 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)c1ccccc1 InChI=1S/C23H17N3O/c27-22(19-14-8-3-9-15-19)26-23-24-20(17-10-4-1-5-11-17)16-21(25-23)18-12-6-2-7-13-18/h1-16H,(H,24,25,26,27) YAAODHHMHPMCPL-UHFFFAOYSA-N 50157680 CHEMBL221455::N-(4,6-diphenylpyrimidin-2-yl)benzamide Adenosine receptor A1 Homo sapiens 309 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157680&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11314132 104044603 CHEMBL221455 ZINC13586462 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289558 CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23) GFLZXPLJINFGKI-UHFFFAOYSA-N 50157672 CHEMBL222474::N-(2,6-diphenylpyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 9.5 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157672&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11438116 104044595 CHEMBL222474 ZINC13586451 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289559 CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C18H15N3O/c1-13(22)19-17-12-16(14-8-4-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22) ZFBASLSZDCISGS-UHFFFAOYSA-N 50157676 CHEMBL426565::N-(2,6-diphenylpyrimidin-4-yl)acetamide Adenosine receptor A1 Homo sapiens 38 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157676&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11185362 104044599 CHEMBL426565 ZINC13586450 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289560 CC(C)(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H23N3O/c1-22(2,3)15-20(26)24-19-14-18(16-10-6-4-7-11-16)23-21(25-19)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,24,25,26) HRLXAMBTUIRRBL-UHFFFAOYSA-N 50157682 CHEMBL222504::LUF-5764::N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutyramide Adenosine receptor A1 Homo sapiens 8.8 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157682&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11462102 104044605 CHEMBL222504 ZINC06716089 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289563 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CC1 InChI=1S/C20H17N3O/c24-19(16-11-12-16)23-20-21-17(14-7-3-1-4-8-14)13-18(22-20)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,21,22,23,24) HMOYOBUDEWMPCL-UHFFFAOYSA-N 50157653 CHEMBL224835::cyclopropane carboxylic acid (4,6-diphenylpyrimidin-2-yl)amide Adenosine receptor A1 Homo sapiens 25 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157653&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11290020 104044576 CHEMBL224835 ZINC13586475 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289565 CC(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H21N3O/c1-15(2)13-20(25)23-19-14-18(16-9-5-3-6-10-16)22-21(24-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,22,23,24,25) LUPWFOJGRCESTC-UHFFFAOYSA-N 50157665 CHEMBL387322::N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide Adenosine receptor A1 Homo sapiens 15 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157665&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11739042 104044588 CHEMBL387322 ZINC13586455 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50289567 CC(C)(C)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H21N3O/c1-21(2,3)19(25)24-20-22-17(15-10-6-4-7-11-15)14-18(23-20)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,22,23,24,25) NXDIUBGJWKDMMT-UHFFFAOYSA-N 50157683 CHEMBL225584::N-(4,6-diphenylpyrimidin-2-yl)-2,2-dimethylpropionamide Adenosine receptor A1 Homo sapiens 224 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157683&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11359476 104044606 CHEMBL225584 ZINC13586472 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293893 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1 InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30) UIFULPIWDUCSCB-UHFFFAOYSA-N 50159960 8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL368442 Adenosine receptor A1 Homo sapiens 6.4 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159960&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958526 104046353 CHEMBL368442 ZINC28342455 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293895 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(F)c2)cc1 InChI=1S/C26H25FN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30) HLXHEVMIMZKUPG-UHFFFAOYSA-N 50159962 8-{4-[3-(3-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL181468 Adenosine receptor A1 Homo sapiens 2010 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159962&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390527 104046355 CHEMBL181468 ZINC28335834 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293896 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-7-11-19(12-8-16)39-15-20-31-23(34-40-20)17-5-9-18(10-6-17)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33) KMXQQWMQGPWGFW-UHFFFAOYSA-N 50159958 1,3-Dipropyl-8-{4-[3-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL360280 Adenosine receptor A1 Homo sapiens 1170 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159958&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390528 104046351 CHEMBL360280 ZINC28335840 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293899 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2OC)cc1 InChI=1S/C27H28N6O5/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)17-10-12-18(13-11-17)37-16-21-28-24(31-38-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) FAJOBWITFHEMMP-UHFFFAOYSA-N 50159967 8-{4-[3-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL181005 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159967&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390583 104046360 CHEMBL181005 ZINC28333892 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293901 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2F)cc1 InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-9-11-17(12-10-16)36-15-20-28-23(31-37-20)18-7-5-6-8-19(18)27/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) IHLGTHQZIHOELI-UHFFFAOYSA-N 50159961 8-{4-[3-(2-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL180811 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159961&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390599 104046354 CHEMBL180811 ZINC28137036 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293906 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(Cl)c2)cc1 InChI=1S/C26H25ClN6O4/c1-3-12-32-23-21(25(34)33(13-4-2)26(32)35)29-22(30-23)16-8-10-19(11-9-16)36-15-20-28-24(37-31-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30) NPHDEJSDZKQEKG-UHFFFAOYSA-N 50159973 8-{4-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL180588 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159973&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390587 104046366 CHEMBL180588 ZINC28332806 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293907 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) LKWRGPUPPVWOTK-UHFFFAOYSA-N 50159959 8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL178172 Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159959&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390545 104046352 CHEMBL178172 ZINC28122384 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293910 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2Cl)cc1 InChI=1S/C26H25ClN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-9-11-17(12-10-16)36-15-20-28-23(31-37-20)18-7-5-6-8-19(18)27/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) XCOCGDNIRZYJDL-UHFFFAOYSA-N 50159977 8-{4-[3-(2-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL179932 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159977&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390549 104046370 CHEMBL179932 ZINC28342947 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293912 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A1 Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293913 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(OC)cc2)cc1 InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-6-12-20(13-7-17)37-16-21-28-25(38-31-21)18-8-10-19(36-3)11-9-18/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) PDRZVSZGCJACJG-UHFFFAOYSA-N 50159964 8-{4-[5-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL183915 Adenosine receptor A1 Homo sapiens 2190 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159964&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11511897 104046357 CHEMBL183915 ZINC28342254 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50293915 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(OC)cc2)cc1 InChI=1S/C27H28N6O5/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)17-8-12-20(13-9-17)37-16-21-28-24(31-38-21)18-6-10-19(36-3)11-7-18/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) WWNFTWQWDJRMQD-UHFFFAOYSA-N 50159963 8-{4-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL182259 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159963&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44390444 104046356 CHEMBL182259 ZINC28331562 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300664 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12 InChI=1S/C29H29N3O4S2/c1-4-36-28(34)23-21-7-5-6-8-22(21)37-27(23)32-26(33)25-24(18-11-9-17(2)10-12-18)31-29(38-25)30-19-13-15-20(35-3)16-14-19/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33) IARLXKSRRREKCI-UHFFFAOYSA-N 50064637 CHEMBL3403727 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064637&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729969 313071324 CHEMBL3403727 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300665 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12 InChI=1S/C29H29N3O3S2/c1-4-35-28(34)23-21-7-5-6-8-22(21)36-27(23)32-26(33)25-24(19-13-9-17(2)10-14-19)31-29(37-25)30-20-15-11-18(3)12-16-20/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33) AUUOKZGVLJVWKP-UHFFFAOYSA-N 50064636 CHEMBL3403726 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064636&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729968 313071323 CHEMBL3403726 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300666 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)sc2CCCCc12 InChI=1S/C23H25N3O3S2/c1-4-29-22(28)18-16-7-5-6-8-17(16)30-21(18)26-20(27)19-14(3)24-23(31-19)25-15-11-9-13(2)10-12-15/h9-12H,4-8H2,1-3H3,(H,24,25)(H,26,27) NOZMIGMIAJRIDQ-UHFFFAOYSA-N 50064635 CHEMBL3403725 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064635&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729967 313071322 CHEMBL3403725 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300667 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2N(C)C)sc2CCCCc12 InChI=1S/C23H26N4O3S2/c1-4-30-22(29)17-15-12-8-9-13-16(15)31-21(17)26-20(28)18-19(27(2)3)25-23(32-18)24-14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3,(H,24,25)(H,26,28) CXMVMWOAQBDGKE-UHFFFAOYSA-N 50064634 CHEMBL3403724 Adenosine receptor A1 Homo sapiens 40800 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064634&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729966 313071321 CHEMBL3403724 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300668 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccc(C)cc2)sc2CCCCc12 InChI=1S/C28H27N3O3S2/c1-3-34-27(33)22-20-11-7-8-12-21(20)35-26(22)31-25(32)24-23(18-15-13-17(2)14-16-18)30-28(36-24)29-19-9-5-4-6-10-19/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H,29,30)(H,31,32) DRBVIQVDWIPGLR-UHFFFAOYSA-N 50064620 CHEMBL3403728 Adenosine receptor A1 Homo sapiens 7750 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064620&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729970 313071307 CHEMBL3403728 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300669 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12 InChI=1S/C24H28N4O3S2/c1-5-31-23(30)18-16-8-6-7-9-17(16)32-22(18)27-21(29)19-20(28(3)4)26-24(33-19)25-15-12-10-14(2)11-13-15/h10-13H,5-9H2,1-4H3,(H,25,26)(H,27,29) UPSIRQTVGYTHEF-UHFFFAOYSA-N 50064621 CHEMBL3403729 Adenosine receptor A1 Homo sapiens 23500 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064621&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729971 313071308 CHEMBL3403729 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300670 CCOC(=O)c1c(NC(=O)c2sc(NOC(C)=O)nc2N(C)C)sc2CCCCc12 InChI=1S/C19H24N4O5S2/c1-5-27-18(26)13-11-8-6-7-9-12(11)29-17(13)21-16(25)14-15(23(3)4)20-19(30-14)22-28-10(2)24/h5-9H2,1-4H3,(H,20,22)(H,21,25) KTCOEYUYZKSGIQ-UHFFFAOYSA-N 50064622 CHEMBL3403730 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064622&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729972 313071309 CHEMBL3403730 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300671 CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N InChI=1S/C21H21N5OS2/c1-26(2)18-17(29-21(24-18)23-13-8-4-3-5-9-13)19(27)25-20-15(12-22)14-10-6-7-11-16(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,27) FCTOTFLVHVXGMI-UHFFFAOYSA-N 50064623 CHEMBL3403731 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064623&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729973 313071310 CHEMBL3403731 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300672 CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N InChI=1S/C22H23N5OS2/c1-13-8-10-14(11-9-13)24-22-25-19(27(2)3)18(30-22)20(28)26-21-16(12-23)15-6-4-5-7-17(15)29-21/h8-11H,4-7H2,1-3H3,(H,24,25)(H,26,28) HNJQGTQYLKHULB-UHFFFAOYSA-N 50064624 CHEMBL3403732 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064624&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729974 313071311 CHEMBL3403732 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300673 CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O InChI=1S/C22H25N5O2S2/c1-12-8-10-13(11-9-12)24-22-25-19(27(2)3)17(31-22)20(29)26-21-16(18(23)28)14-6-4-5-7-15(14)30-21/h8-11H,4-7H2,1-3H3,(H2,23,28)(H,24,25)(H,26,29) MEMQHGHFQKPZOS-UHFFFAOYSA-N 50064625 CHEMBL3403733 Adenosine receptor A1 Homo sapiens 32400 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064625&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729975 313071312 CHEMBL3403733 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300674 Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O InChI=1S/C26H24N4O2S2/c1-15-11-13-16(14-12-15)21-22(34-26(29-21)28-17-7-3-2-4-8-17)24(32)30-25-20(23(27)31)18-9-5-6-10-19(18)33-25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,27,31)(H,28,29)(H,30,32) LNDGSFJHLKTPJU-UHFFFAOYSA-N 50064626 CHEMBL3403734 Adenosine receptor A1 Homo sapiens 2380 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064626&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729976 313071313 CHEMBL3403734 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300675 Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1 InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32) GJFKAFOYEBYJPS-UHFFFAOYSA-N 50064627 CHEMBL3403735 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064627&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729977 313071314 CHEMBL3403735 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300676 COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1 InChI=1S/C27H24N4O2S2/c1-16-7-9-17(10-8-16)23-24(35-27(30-23)29-18-11-13-19(33-2)14-12-18)25(32)31-26-21(15-28)20-5-3-4-6-22(20)34-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32) BYGFFIKKTIKOJU-UHFFFAOYSA-N 50064628 CHEMBL3403736 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064628&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729978 313071315 CHEMBL3403736 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300677 COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C(N)=O)-c2ccc(C)cc2)cc1 InChI=1S/C27H26N4O3S2/c1-15-7-9-16(10-8-15)22-23(36-27(30-22)29-17-11-13-18(34-2)14-12-17)25(33)31-26-21(24(28)32)19-5-3-4-6-20(19)35-26/h7-14H,3-6H2,1-2H3,(H2,28,32)(H,29,30)(H,31,33) SWPZWSZSXBPZBB-UHFFFAOYSA-N 50064629 CHEMBL3403737 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064629&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729979 313071316 CHEMBL3403737 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300678 Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N InChI=1S/C21H20N4OS2/c1-12-7-9-14(10-8-12)24-21-23-13(2)18(28-21)19(26)25-20-16(11-22)15-5-3-4-6-17(15)27-20/h7-10H,3-6H2,1-2H3,(H,23,24)(H,25,26) RDCBVRBAGNXMMR-UHFFFAOYSA-N 50064630 CHEMBL3403738 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064630&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729980 313071317 CHEMBL3403738 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300679 CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC InChI=1S/C23H26N4O6S2/c1-7-33-21(29)15-12(2)16(22(30)32-6)34-20(15)26-19(28)17-18(27(3)4)25-23(35-17)24-13-8-10-14(31-5)11-9-13/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28) AOKQKJLVGCXOFA-UHFFFAOYSA-N 50064631 CHEMBL3403739 Adenosine receptor A1 Homo sapiens 14000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064631&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729981 313071318 CHEMBL3403739 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300680 CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1C)C(=O)OC InChI=1S/C22H23N3O5S2/c1-6-30-20(27)15-12(3)16(21(28)29-5)31-19(15)25-18(26)17-13(4)23-22(32-17)24-14-9-7-11(2)8-10-14/h7-10H,6H2,1-5H3,(H,23,24)(H,25,26) ZBWOLBZUALFVNT-UHFFFAOYSA-N 50064632 CHEMBL3403740 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064632&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729982 313071319 CHEMBL3403740 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300681 CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C)C(=O)OC InChI=1S/C23H26N4O5S2/c1-7-32-21(29)15-13(3)16(22(30)31-6)33-20(15)26-19(28)17-18(27(4)5)25-23(34-17)24-14-10-8-12(2)9-11-14/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28) FCBHDSLDRNWTJS-UHFFFAOYSA-N 50064633 CHEMBL3403741 Adenosine receptor A1 Homo sapiens 19000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064633&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118729983 313071320 CHEMBL3403741 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300905 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ IQVRBWUUXZMOPW-PKNBQFBNSA-N 50176050 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione::8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione::CHEMBL431770::istradefylline Adenosine receptor A1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; LanggÃ¥rd, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176050&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search JQ9 8GNG 5311037 104061724 CHEMBL431770 5608 ZINC03803921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300994 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(I)nc12 InChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20-/m1/s1 QCATUPVGQKLFCK-KZOVSVDNSA-N 50163012 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[6-(3-chlorobenzylamino)-2-iodo-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175444 Adenosine receptor A1 Homo sapiens 2200 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163012&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73345316 104049105 CHEMBL175444 ZINC28112740 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50300998 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(Cl)nc12 InChI=1S/C14H17ClN6O3/c1-16-10-6-11(20-13(15)19-10)21(4-18-6)7-5-3-14(5,12(24)17-2)9(23)8(7)22/h4-5,7-9,22-23H,3H2,1-2H3,(H,17,24)(H,16,19,20)/t5-,7-,8+,9+,14+/m1/s1 GOFNEDUSCHPEBQ-RGUAOFKASA-N 50100416 (1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9-yl)-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::(1S,2R,3S,4R,5S)-4-(2-chloro-6-(methylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-(2-amino-6-methylamino-9H-9-purinyl)-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL283057 Adenosine receptor A1 Homo sapiens 2100 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100416&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10450691 103997191 CHEMBL283057 ZINC13491495 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301007 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A1 Homo sapiens 220 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301018 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 XTJPMALIPQWXDY-KQYNXXCUSA-N 50163021 (2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::Adenosine analog, 17::CHEMBL194830 Adenosine receptor A1 Homo sapiens 480 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163021&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44401604 104049114 CHEMBL194830 ZINC13611525 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301022 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 OOEMZCZWZXHBKW-SCFUHWHPSA-N 50080390 (2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-methyl-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::Adenosine analog, 16::CHEMBL331382::Metrifudil Adenosine receptor A1 Homo sapiens 39 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080390&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 65710 103980561 CHEMBL331382 426 ZINC04216929 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301025 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(21)27-17(12)28)24-7-9-3-2-4-10(22)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1 AGCJNWSEWOWGRS-DDDALXFXSA-N 50100418 (1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL27376 Adenosine receptor A1 Homo sapiens 136 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100418&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9850648 103997193 CHEMBL27376 ZINC28764076 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301032 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3ccc(N)c(I)c3)nc(Cl)nc12 InChI=1S/C20H21ClIN7O3/c1-24-18(32)20-5-9(20)13(14(30)15(20)31)29-7-26-12-16(27-19(21)28-17(12)29)25-6-8-2-3-11(23)10(22)4-8/h2-4,7,9,13-15,30-31H,5-6,23H2,1H3,(H,24,32)(H,25,27,28)/t9-,13-,14+,15+,20-/m1/s1 QCQJRAODDRNEQU-OQVYSTTDSA-N 50163026 1N-methyl-4-[6-(4-amino-3-iodobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL366560 Adenosine receptor A1 Homo sapiens 48 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163026&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73355960 104049119 CHEMBL366560 ZINC28113672 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301033 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCC(N)=O)nc(Cl)nc12 InChI=1S/C22H23Cl2N7O5/c1-26-20(35)22-5-11(22)15(16(33)17(22)34)31-8-28-14-18(29-21(24)30-19(14)31)27-6-9-4-10(23)2-3-12(9)36-7-13(25)32/h2-4,8,11,15-17,33-34H,5-7H2,1H3,(H2,25,32)(H,26,35)(H,27,29,30)/t11-,15-,16+,17+,22-/m1/s1 ZWRNXJPEIGVJQX-DYBQNUGTSA-N 50163008 1N-methyl-4-[6-(2-carbamoylmethoxy-5-chlorobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL177443 Adenosine receptor A1 Homo sapiens 81 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163008&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73352882 104049101 CHEMBL177443 ZINC18804842 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301034 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1 ISZYFLVJJCPYGN-NFPQMFLLSA-N 50088428 (1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-1-hydroxymethyl-(1R,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL27809 Adenosine receptor A1 Homo sapiens 65 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088428&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9893136 103987343 CHEMBL27809 ZINC03975387 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301040 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 InChI=1S/C17H18ClN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1 YRFQIOJJXMEZGA-LSCFUAHRSA-N 50163028 (2R,3R,4S,5R)-2-(6-(3-chlorobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-[6-(3-Chloro-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL193385 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163028&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10046002 104049121 CHEMBL193385 ZINC13611527 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301042 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccnc3)ncnc12 InChI=1S/C16H18N6O4/c23-6-10-12(24)13(25)16(26-10)22-8-21-11-14(19-7-20-15(11)22)18-5-9-2-1-3-17-4-9/h1-4,7-8,10,12-13,16,23-25H,5-6H2,(H,18,19,20)/t10-,12-,13-,16-/m1/s1 OGGGQWLDZCHKIQ-XNIJJKJLSA-N 50163024 (2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(pyridin-3-ylmethyl)-amino]-purin-9-yl}-tetrahydro-furan-3,4-diol::CHEMBL364671 Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163024&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44401545 104049117 CHEMBL364671 ZINC13611537 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301046 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCc3ccccc3)nc(Cl)nc12 InChI=1S/C27H26Cl2N6O4/c1-30-25(38)27-10-17(27)20(21(36)22(27)37)35-13-32-19-23(33-26(29)34-24(19)35)31-11-15-9-16(28)7-8-18(15)39-12-14-5-3-2-4-6-14/h2-9,13,17,20-22,36-37H,10-12H2,1H3,(H,30,38)(H,31,33,34)/t17-,20-,21+,22+,27-/m1/s1 DGZKRHKJMSCQBD-PFBLAMEFSA-N 50163006 1N-methyl-4-[6-(2-benzyloxy-5-chlorobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL434328 Adenosine receptor A1 Homo sapiens 1200 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163006&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73352883 104049099 CHEMBL434328 ZINC28103215 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301064 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1 SDIFQMIJZMPOMA-QNEDUEMWSA-N 50163016 (1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(5-chloro-2-methoxybenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL353319 Adenosine receptor A1 Homo sapiens 240 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163016&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11329375 104049109 CHEMBL353319 ZINC13611548 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301065 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C20H21IN6O3/c1-22-19(30)20-6-12(20)14(15(28)16(20)29)27-9-26-13-17(24-8-25-18(13)27)23-7-10-3-2-4-11(21)5-10/h2-5,8-9,12,14-16,28-29H,6-7H2,1H3,(H,22,30)(H,23,24,25)/t12-,14-,15+,16+,20+/m1/s1 USWIYPRHODPZSP-MQZHODQLSA-N 50100423 (1S,2R,3S,4R,5S)-2,3-Dihydroxy-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-2,3-dihydroxy-4-[6-(3-iodobenzylamino)-9H-9-purinyl]-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL280580 Adenosine receptor A1 Homo sapiens 700 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100423&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10256116 103997198 CHEMBL280580 ZINC28765599 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301070 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1 GAYWHRPOIWFKIF-DDDALXFXSA-N 50163020 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-chloro-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-chlorobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175543 Adenosine receptor A1 Homo sapiens 260 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163020&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11248240 104049113 CHEMBL175543 ZINC13611544 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301076 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)ncnc12 InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-11(12)10-4-2-1-3-5-10/h1-5,8-9,11-13,15-16,19,25-27H,6-7H2,(H,20,21,23)/t11?,12?,13-,15-,16-,19-/m1/s1 GAIXIJBBHRACLL-UIKOTCIDSA-N 50163010 (2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-phenyl-cyclopropylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL193421 Adenosine receptor A1 Homo sapiens 120 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163010&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44401487 104049103 CHEMBL193421 ZINC13611535 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301081 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C17H17ClIN5O4/c18-17-22-14(20-5-8-2-1-3-9(19)4-8)11-15(23-17)24(7-21-11)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,22,23)/t10-,12-,13-,16-/m1/s1 MIBNONCHNQYLDV-XNIJJKJLSA-N 50088421 (2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL307199 Adenosine receptor A1 Homo sapiens 17 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088421&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10346511 103987336 CHEMBL307199 ZINC12405715 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301087 COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H20ClN5O5/c1-28-11-3-2-10(19)4-9(11)5-20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(6-25)29-18/h2-4,7-8,12,14-15,18,25-27H,5-6H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1 GPTLISQFNJWPRC-SCFUHWHPSA-N 50163018 (2R,3R,4S,5R)-2-[6-(5-Chloro-2-methoxy-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL191809 Adenosine receptor A1 Homo sapiens 9.2 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163018&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 13506474 104049111 CHEMBL191809 ZINC13611529 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301088 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1 TWLWIJNPUVZDOB-LSCFUAHRSA-N 50088422 (2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL66393 Adenosine receptor A1 Homo sapiens 7.4 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088422&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10254700 103987337 CHEMBL66393 ZINC03985921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301090 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3Cl)nc(Cl)nc12 InChI=1S/C20H19Cl2IN6O3/c1-24-18(32)20-5-10(20)13(14(30)15(20)31)29-7-26-12-16(27-19(22)28-17(12)29)25-6-8-4-9(23)2-3-11(8)21/h2-4,7,10,13-15,30-31H,5-6H2,1H3,(H,24,32)(H,25,27,28)/t10-,13-,14+,15+,20-/m1/s1 XZCOZCPAEZROHY-WRQNOASSSA-N 50163019 1N-methyl-4-[2-chloro-6-(2-chloro-5-iodobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175430 Adenosine receptor A1 Homo sapiens 340 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163019&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73346835 104049112 CHEMBL175430 ZINC28113659 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301091 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc12 InChI=1S/C27H27ClN6O3/c1-29-25(37)27-12-18(27)20(21(35)22(27)36)34-14-31-19-23(32-26(28)33-24(19)34)30-13-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-18,20-22,35-36H,12-13H2,1H3,(H,29,37)(H,30,32,33)/t18-,20-,21+,22+,27-/m1/s1 GSEPPCKOQUMRLH-ISRHKJNMSA-N 50163031 (1S,2R,3S,4R,5S)-4-(2-chloro-6-(2,2-diphenylethylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(2,2-diphenylethylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL368872 Adenosine receptor A1 Homo sapiens 1300 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163031&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73349920 104049124 CHEMBL368872 ZINC28112733 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301092 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12 InChI=1S/C24H25N5O4/c30-12-18-20(31)21(32)24(33-18)29-14-28-19-22(26-13-27-23(19)29)25-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17-18,20-21,24,30-32H,11-12H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1 TUGMXIURLRAWSS-UMCMBGNQSA-N 50163015 (2R,3R,4S,5R)-2-[6-(2,2-Diphenyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL193692 Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163015&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10388920 104049108 CHEMBL193692 ZINC13611539 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301094 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 InChI=1S/C20H20BrClN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20-/m1/s1 HYFDTLBXWNFVQO-KZOVSVDNSA-N 50163025 (1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[6-(3-bromobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL425741 Adenosine receptor A1 Homo sapiens 270 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163025&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73349930 104049118 CHEMBL425741 ZINC13611542 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301097 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3OC)nc(Cl)nc12 InChI=1S/C21H22ClIN6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(22)28-18(13)29)25-7-9-5-10(23)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21-/m1/s1 IQHJAUYJWIFZFF-MAUXMWESSA-N 50163029 1N-methyl-4-[2-chloro-6-(5-iodo-2-methoxybenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175895 Adenosine receptor A1 Homo sapiens 200 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163029&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 73345315 104049122 CHEMBL175895 ZINC28113664 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301103 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 51 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301104 CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1 VQAYFKKCNSOZKM-IOSLPCCCSA-N 50163023 (2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3,4-diol::CHEMBL383144 Adenosine receptor A1 Homo sapiens 6000 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163023&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6MD 4X64,4LMP,5ZUU,7NJC,6ZDA,6ZD5,6ZD7,4RDN 102175 104049116 21891 CHEMBL383144 ZINC04245632 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50301105 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H20IN5O3/c20-11-3-1-2-10(4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1 VIXCVSNTFYSXDO-DPNDMPAOSA-N 50088425 (1R,2R,3S,4R,5S)-1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-2,3-diol::1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-2,3-diol::1-hydroxymethyl-4-[6-(3-iodobenzylamino)-9H-9-purinyl]-(1R,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL417292 Adenosine receptor A1 Homo sapiens 35 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088425&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9805713 103987340 CHEMBL417292 ZINC03975385 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327298 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) XQBUMQMRPGEFTC-UHFFFAOYSA-N 50176748 8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL380821 Adenosine receptor A1 Homo sapiens 2900 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176748&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11698898 104062395 CHEMBL380821 ZINC28564258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327299 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C25H24F3N7O3/c1-3-9-34-22-20(23(36)35(10-4-2)24(34)37)30-21(31-22)16-12-29-33(13-16)14-18-11-19(38-32-18)15-5-7-17(8-6-15)25(26,27)28/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,30,31) YTNFLFXQFWBCKN-UHFFFAOYSA-N 50176755 1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200451 Adenosine receptor A1 Homo sapiens 2300 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176755&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11466670 104062402 CHEMBL200451 ZINC28563435 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327306 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2Cl)c1 InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)14-11-25-30(12-14)13-17-26-21(35-29-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) CIEOLLDIUUWRAM-UHFFFAOYSA-N 50176768 8-(1-((5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL199732 Adenosine receptor A1 Homo sapiens 630 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176768&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406607 104062413 CHEMBL199732 ZINC28564256 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327311 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)Nc2ccccc2Cl)c1 InChI=1S/C22H24ClN7O3/c1-3-9-29-20-18(21(32)30(10-4-2)22(29)33)26-19(27-20)14-11-24-28(12-14)13-17(31)25-16-8-6-5-7-15(16)23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,25,31)(H,26,27) VGQQNYGQHGACFL-UHFFFAOYSA-N 50176736 CHEMBL200780::N-(2-chlorophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1H-pyrazol-1-yl)acetamide Adenosine receptor A1 Homo sapiens 102 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176736&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958701 104062383 CHEMBL200780 ZINC28564212 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327316 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1 InChI=1S/C24H24ClN7O3/c1-3-8-31-22-20(23(33)32(9-4-2)24(31)34)27-21(28-22)16-12-26-30(13-16)14-18-11-19(35-29-18)15-6-5-7-17(25)10-15/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,27,28) KDLPGEPENKAHRB-UHFFFAOYSA-N 50176764 8-(1-((5-(3-chlorophenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200417 Adenosine receptor A1 Homo sapiens 4600 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176764&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406397 104062409 CHEMBL200417 ZINC28563237 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327317 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1 InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29) AUMGXDRTMXHQMJ-UHFFFAOYSA-N 50176739 4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazol-5-yl)benzonitrile::CHEMBL199895 Adenosine receptor A1 Homo sapiens 570 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176739&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406611 104062386 CHEMBL199895 ZINC28564397 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327318 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-9-34-21-18(22(36)35(10-4-2)23(34)37)30-19(31-21)15-11-28-33(12-15)13-17-29-20(32-38-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31) UVQLPCJQNUCWNY-UHFFFAOYSA-N 50176756 1,3-dipropyl-8-(1-((3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL199309 Adenosine receptor A1 Homo sapiens 3300 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176756&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406639 104062403 CHEMBL199309 ZINC28564358 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327322 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(Cl)c2)c1 InChI=1S/C23H23ClN8O3/c1-3-8-31-21-18(22(33)32(9-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28) FZKRWJLOBPSPCD-UHFFFAOYSA-N 50176752 8-(1-((3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL370380 Adenosine receptor A1 Homo sapiens 652 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176752&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406643 104062399 CHEMBL370380 ZINC28564246 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327324 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1 InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)14-11-25-30(12-14)13-17-26-20(29-35-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) MPKZAVFMYJALAY-UHFFFAOYSA-N 50176769 8-(1-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200370 Adenosine receptor A1 Homo sapiens 2500 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176769&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406545 104062414 CHEMBL200370 ZINC28563828 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327326 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2OC)c1 InChI=1S/C25H27N7O4/c1-4-10-31-23-21(24(33)32(11-5-2)25(31)34)27-22(28-23)16-13-26-30(14-16)15-17-12-20(36-29-17)18-8-6-7-9-19(18)35-3/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,27,28) XBRDCSKEICKEMR-UHFFFAOYSA-N 50176753 8-(1-((5-(2-methoxyphenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200509 Adenosine receptor A1 Homo sapiens 3300 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176753&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406334 104062400 CHEMBL200509 ZINC28563229 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327330 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(C)c2)c1 InChI=1S/C24H26N8O3/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-7-15(3)11-16/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28) KBKMBTRVTSCGHX-UHFFFAOYSA-N 50176766 1,3-dipropyl-8-(1-((3-m-tolyl-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200350 Adenosine receptor A1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176766&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406582 104062411 CHEMBL200350 ZINC28564207 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327333 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-9-34-21-18(22(36)35(10-4-2)23(34)37)30-19(31-21)14-11-28-33(12-14)13-17-29-20(32-38-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31) VSKYJNJABJKLAI-UHFFFAOYSA-N 50176742 1,3-dipropyl-8-(1-((3-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200313 Adenosine receptor A1 Homo sapiens 530 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176742&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406592 104062389 CHEMBL200313 ZINC28564059 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327340 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(C)cc2)c1 InChI=1S/C24H26N8O3/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-15(3)7-9-16/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) RLXWTYPPMJNURK-UHFFFAOYSA-N 50176767 1,3-dipropyl-8-(1-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200349 Adenosine receptor A1 Homo sapiens 2600 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176767&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958758 104062412 CHEMBL200349 ZINC28564205 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327350 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2C(F)(F)F)c1 InChI=1S/C25H24F3N7O3/c1-3-9-34-22-20(23(36)35(10-4-2)24(34)37)30-21(31-22)15-12-29-33(13-15)14-16-11-19(38-32-16)17-7-5-6-8-18(17)25(26,27)28/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,30,31) JMGVPHKAJLBFKK-UHFFFAOYSA-N 50176750 1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200739 Adenosine receptor A1 Homo sapiens 3700 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176750&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406398 104062397 CHEMBL200739 ZINC28563527 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327354 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) FUKUTZINQOQZRW-UHFFFAOYSA-N 50233109 8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252045 Adenosine receptor A1 Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233109&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266765 104055675 CHEMBL252045 ZINC28564191 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327362 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27) QHQXJNOXMJZDGX-UHFFFAOYSA-N 50233091 8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252245 Adenosine receptor A1 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233091&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266775 104055657 CHEMBL252245 ZINC28564226 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323053 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H15N9O3/c1-2-21-18-10(17-19-21)8-6(22)7(23)12(24-8)20-4-16-5-9(13)14-3-15-11(5)20/h3-4,6-8,12,22-23H,2H2,1H3,(H2,13,14,15)/t6-,7+,8-,12+/m0/s1 MAIBBTQWLYABNH-FLNNQWSLSA-N 50078422 CHEMBL3414936 Adenosine receptor A1 Homo sapiens 0.919000 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078422&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732971 103970973 CHEMBL3414936 ZINC13557127 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323054 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 InChI=1S/C12H14ClN9O3/c1-2-22-19-9(18-20-22)7-5(23)6(24)11(25-7)21-3-15-4-8(14)16-12(13)17-10(4)21/h3,5-7,11,23-24H,2H2,1H3,(H2,14,16,17)/t5-,6+,7-,11+/m0/s1 KCFSAWYFAYDKQD-QMWPFBOUSA-N 50078423 CHEMBL3414937 Adenosine receptor A1 Homo sapiens 0.966000 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078423&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56627882 103970974 CHEMBL3414937 ZINC13557116 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323055 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 InChI=1S/C13H17N9O3/c1-3-22-19-11(18-20-22)9-7(23)8(24)13(25-9)21-5-17-6-10(14-2)15-4-16-12(6)21/h4-5,7-9,13,23-24H,3H2,1-2H3,(H,14,15,16)/t7-,8+,9-,13+/m0/s1 XLNLUOHNKKMJIG-QRIDJOKKSA-N 50078424 CHEMBL3414938 Adenosine receptor A1 Homo sapiens 3.6 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078424&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732972 103970975 CHEMBL3414938 ZINC13557090 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323056 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 InChI=1S/C13H16ClN9O3/c1-3-23-20-10(19-21-23)8-6(24)7(25)12(26-8)22-4-16-5-9(15-2)17-13(14)18-11(5)22/h4,6-8,12,24-25H,3H2,1-2H3,(H,15,17,18)/t6-,7+,8-,12+/m0/s1 PCCBWJONNFIZJH-FLNNQWSLSA-N 50078425 CHEMBL3414939 Adenosine receptor A1 Homo sapiens 8.6 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078425&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732973 103970976 CHEMBL3414939 ZINC26485708 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323057 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 InChI=1S/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/m0/s1 DEVAFUMPTPLYOY-BQVMBELUSA-N 50078426 CHEMBL3414940 Adenosine receptor A1 Homo sapiens 0.682000 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078426&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732974 103970977 CHEMBL3414940 ZINC13557146 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323058 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/m0/s1 IRRXNCFETDOCCQ-AEISUSGSSA-N 50078427 CHEMBL3414941 Adenosine receptor A1 Homo sapiens 0.311000 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078427&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732975 103970978 CHEMBL3414941 ZINC13557124 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323059 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc12 InChI=1S/C19H25N9O3/c1-2-28-25-17(24-26-28)15-13(29)14(30)19(31-15)27-8-22-12-16(20-7-21-18(12)27)23-11-6-9-3-4-10(11)5-9/h7-11,13-15,19,29-30H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11+,13+,14-,15+,19-/m1/s1 VBEDZGFOGYYFAA-VAKQMTRESA-N 50078428 CHEMBL3414942 Adenosine receptor A1 Homo sapiens 0.453000 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078428&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732976 103970979 CHEMBL3414942 ZINC13557104 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323090 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)nc(Cl)nc12 InChI=1S/C19H24ClN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-21-11-15(23-19(20)24-17(11)28)22-10-6-8-3-4-9(10)5-8/h7-10,12-14,18,30-31H,2-6H2,1H3,(H,22,23,24)/t8-,9-,10+,12+,13-,14+,18-/m1/s1 UQOODWFWVKWKPZ-TXWJGDGWSA-N 50078429 CHEMBL3414943 Adenosine receptor A1 Homo sapiens 0.728000 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078429&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732977 103970980 CHEMBL3414943 ZINC13557093 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323091 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)ncnc12 InChI=1S/C16H21N9O4/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(29-12)24-7-19-9-13(17-6-18-15(9)24)20-8-4-3-5-28-8/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,20)/t8?,10-,11+,12-,16+/m0/s1 OZWIQLJRUYENLH-BHETVNITSA-N 50078430 CHEMBL3414944 Adenosine receptor A1 Homo sapiens 1.2 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078430&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732978 103970981 CHEMBL3414944 ZINC13557112 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323092 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)nc(Cl)nc12 InChI=1S/C16H20ClN9O4/c1-2-26-23-13(22-24-26)11-9(27)10(28)15(30-11)25-6-18-8-12(19-7-4-3-5-29-7)20-16(17)21-14(8)25/h6-7,9-11,15,27-28H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10+,11-,15+/m0/s1 HAPGDXOGTRCUFO-GEVFMYGYSA-N 50078537 CHEMBL3414945 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078537&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732979 313073672 CHEMBL3414945 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323093 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 InChI=1S/C18H17ClFN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-23-11-15(21-6-22-17(11)28)24-10-4-3-8(19)5-9(10)20/h3-7,12-14,18,30-31H,2H2,1H3,(H,21,22,24)/t12-,13+,14-,18+/m0/s1 SLEKQRJDUVSCPY-MOROJQBDSA-N 50078538 CHEMBL3414946 Adenosine receptor A1 Homo sapiens 0.432000 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078538&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732980 313073673 CHEMBL3414946 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323094 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12 InChI=1S/C18H16Cl2FN9O3/c1-2-30-27-15(26-28-30)13-11(31)12(32)17(33-13)29-6-22-10-14(24-18(20)25-16(10)29)23-9-4-3-7(19)5-8(9)21/h3-6,11-13,17,31-32H,2H2,1H3,(H,23,24,25)/t11-,12+,13-,17+/m0/s1 HLHAFTISHRHDPF-PFHKOEEOSA-N 50078420 CHEMBL3414947 Adenosine receptor A1 Homo sapiens 1.7 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078420&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732981 103970971 CHEMBL3414947 ZINC13557132 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50323095 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3I)nc(Cl)nc12 InChI=1S/C19H19ClIN9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(20)25-17(11)29)22-7-9-5-3-4-6-10(9)21/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SXSHOTNATXYYEG-MOROJQBDSA-N 50078421 CHEMBL3414948 Adenosine receptor A1 Homo sapiens 2.4 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078421&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732982 103970972 CHEMBL3414948 ZINC13557150 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327404 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1 InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(27)11-9-17)15-30-31(24)16-22(26)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29) SMFUZLCKIPKAPL-UHFFFAOYSA-N 50176815 CHEMBL225398::ethyl 4-(4-fluorophenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A1 Homo sapiens 16 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176815&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11626876 104062425 CHEMBL225398 ZINC13675459 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327421 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1 InChI=1S/C26H27ClN4O3/c1-3-34-26(32)22-15-29-25-21(16-30-31(25)17-23(27)19-7-5-4-6-8-19)24(22)28-14-13-18-9-11-20(33-2)12-10-18/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29) NCFMXHDEOVEFEX-UHFFFAOYSA-N 50176835 CHEMBL223871::ethyl 4-(4-methoxyphenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A1 Homo sapiens 25 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176835&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11684389 104062445 CHEMBL223871 ZINC13675447 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327422 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1 InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(26)11-9-17)15-30-31(24)16-22(27)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29) WGCPVOVIIPOPSY-UHFFFAOYSA-N 50176832 CHEMBL224909::ethyl 4-(4-chlorophenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A1 Homo sapiens 153 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176832&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11525912 104062442 CHEMBL224909 ZINC13675471 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327423 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1 InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28) IAZBIUQSFXFAEW-UHFFFAOYSA-N 50176833 CHEMBL224545::methyl 4-(4-methoxyphenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A1 Homo sapiens 94 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176833&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11719640 104062443 CHEMBL224545 ZINC13675439 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313315 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CCCCC1 InChI=1S/C23H27N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3,(H,24,25) FSHOAOFFSOLCBW-UHFFFAOYSA-N 50170129 1-Benzyl-7-cyclohexyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-cyclohexyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL191414 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170129&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11774108 104056593 CHEMBL191414 ZINC13648069 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313322 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)c(C)n3c2c1=O InChI=1S/C19H21N5O2/c1-4-10-22-17(25)15-16(21-18-20-12(2)13(3)24(15)18)23(19(22)26)11-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,21) OQLCMCFQKFYOAN-UHFFFAOYSA-N 50170134 1-Benzyl-6,7-dimethyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-6,7-dimethyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL188506 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170134&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11348709 104056598 CHEMBL188506 ZINC13648071 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313324 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)Cn3c2c1=O InChI=1S/C19H20N4O2/c1-3-9-21-18(24)16-17(20-15-10-13(2)11-22(15)16)23(19(21)25)12-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3 HMQNPUFPJRTPMX-UHFFFAOYSA-N 50170137 1-Benzyl-7-methyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-methyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL189904 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170137&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11371101 104056601 CHEMBL189904 ZINC13648040 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313327 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(Cn3c2c1=O)c1ccccc1 InChI=1S/C24H22N4O2/c1-2-13-26-23(29)21-22(28(24(26)30)15-17-9-5-3-6-10-17)25-20-14-19(16-27(20)21)18-11-7-4-8-12-18/h3-12,14H,2,13,15-16H2,1H3 ULFOXVWHSODZOV-UHFFFAOYSA-N 50170131 1-Benzyl-7-phenyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-phenyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL193100 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170131&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11463674 104056595 CHEMBL193100 ZINC13648037 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313331 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22) ASWLMOCIKJHRAO-UHFFFAOYSA-N 50170139 1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-isopropyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL188269 Adenosine receptor A1 Homo sapiens 460 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170139&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11428535 104056603 CHEMBL188269 ZINC13648062 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313338 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CC1 InChI=1S/C20H21N5O2/c1-2-10-23-18(26)16-17(22-19-21-15(12-24(16)19)14-8-9-14)25(20(23)27)11-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,22) HQJVISVDMXOQSF-UHFFFAOYSA-N 50170140 1-Benzyl-7-cyclopropyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-cyclopropyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL364036 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170140&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11394389 104056604 CHEMBL364036 ZINC13648067 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313339 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)(C)C InChI=1S/C21H25N5O2/c1-5-11-24-18(27)16-17(23-19-22-15(13-25(16)19)21(2,3)4)26(20(24)28)12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,22,23) HSXKKRPCNBMEOM-UHFFFAOYSA-N 50170135 1-Benzyl-7-tert-butyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-tert-butyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL191421 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170135&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11153187 104056599 CHEMBL191421 ZINC13648065 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313346 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)C(C)n3c2c1=O InChI=1S/C20H22N4O2/c1-4-10-22-19(25)17-18(21-16-11-13(2)14(3)24(16)17)23(20(22)26)12-15-8-6-5-7-9-15/h5-9,11,14H,4,10,12H2,1-3H3 VDRIWCZLIFRTAN-UHFFFAOYSA-N 50170142 1-Benzyl-6,7-dimethyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-6,7-dimethyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL193130 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170142&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11360082 104056606 CHEMBL193130 ZINC13648047 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313347 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)cn3c2c1=O InChI=1S/C19H21N5O2/c1-3-10-22-17(25)15-16(21-18-20-14(4-2)12-23(15)18)24(19(22)26)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21) AQSASUNPGDTELP-UHFFFAOYSA-N 50170141 1-Benzyl-7-ethyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL372026 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170141&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11175566 104056605 CHEMBL372026 ZINC13648060 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313349 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3 VRCZHWKFFVQSEO-UHFFFAOYSA-N 50170136 1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL371404 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170136&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11233411 104056600 CHEMBL371404 ZINC13648043 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313353 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20) PYBPORWWSICOQW-UHFFFAOYSA-N 50170132 1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL434534 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170132&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11209919 104056596 CHEMBL434534 ZINC11687038 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313356 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccccc1 InChI=1S/C23H21N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,24,25) UEXAJGWZPXRZGA-UHFFFAOYSA-N 50170128 1-Benzyl-7-phenyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-phenyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL435887 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170128&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11452333 104056592 CHEMBL435887 ZINC13648049 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313357 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1 InChI=1S/C23H20FN5O2/c1-2-12-27-21(30)19-20(29(23(27)31)13-15-6-4-3-5-7-15)26-22-25-18(14-28(19)22)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,25,26) LYKKTUMLNOYVLB-UHFFFAOYSA-N 50170130 1-Benzyl-7-(4-fluoro-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-(4-fluorophenyl)-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL426271 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170130&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11475577 104056594 CHEMBL426271 ZINC13648057 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313358 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)c(C)n3c2c1=O InChI=1S/C20H23N5O2/c1-4-11-23-18(26)16-17(22-19-21-15(5-2)13(3)25(16)19)24(20(23)27)12-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,22) HXRUQROKFKMUEI-UHFFFAOYSA-N 50170138 1-Benzyl-7-ethyl-6-methyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-6-methyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL373090 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170138&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11257069 104056602 CHEMBL373090 ZINC13648074 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313359 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(cc1)-c1ccccc1 InChI=1S/C29H25N5O2/c1-2-17-32-27(35)25-26(34(29(32)36)18-20-9-5-3-6-10-20)31-28-30-24(19-33(25)28)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16,19H,2,17-18H2,1H3,(H,30,31) BVGMOOZZMAZRCV-UHFFFAOYSA-N 50170133 1-Benzyl-7-biphenyl-4-yl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL190472 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170133&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11465677 104056597 CHEMBL190472 ZINC13648054 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50313371 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(OC)cc1 InChI=1S/C24H23N5O3/c1-3-13-27-22(30)20-21(29(24(27)31)14-16-7-5-4-6-8-16)26-23-25-19(15-28(20)23)17-9-11-18(32-2)12-10-17/h4-12,15H,3,13-14H2,1-2H3,(H,25,26) MOSPFLQQFAUCCI-UHFFFAOYSA-N 50170143 1-Benzyl-7-(4-methoxy-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-(4-methoxyphenyl)-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL189922 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170143&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11464552 104056607 CHEMBL189922 ZINC13648051 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327437 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1F InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)20-14-29-24-19(23(20)28-13-12-18-10-6-7-11-22(18)27)15-30-31(24)16-21(26)17-8-4-3-5-9-17/h3-11,14-15,21H,2,12-13,16H2,1H3,(H,28,29) PRMUEXGELGWCFE-UHFFFAOYSA-N 50176842 CHEMBL224620::ethyl 4-(2-fluorophenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A1 Homo sapiens 29 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176842&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11719675 104062452 CHEMBL224620 ZINC13675451 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327441 COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1 InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30) JLAFLFSIZKEYGK-UHFFFAOYSA-N 50176822 CHEMBL375154::isopropyl 4-(4-methoxyphenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A1 Homo sapiens 17 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176822&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11670428 104062432 CHEMBL375154 ZINC13675523 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327447 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1 InChI=1S/C25H25ClN4O2/c1-17-8-10-18(11-9-17)12-13-27-23-20-15-29-30(16-22(26)19-6-4-3-5-7-19)24(20)28-14-21(23)25(31)32-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28) FFQHLGNJCHWFAD-UHFFFAOYSA-N 50176838 1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester::CHEMBL375558 Adenosine receptor A1 Homo sapiens 148 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176838&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11640941 104062448 CHEMBL375558 ZINC13675435 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316841 Cc1ccc2c(S)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H14N2S/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19) JNNOALSYCGYTDY-UHFFFAOYSA-N 50171749 3-Benzyl-7-methyl-[1,8]naphthyridine-4-thiol::CHEMBL427178 Adenosine receptor A1 Homo sapiens 8720.0 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171749&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403594 104057943 CHEMBL427178 ZINC28525973 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316844 Cc1ccc2c(O)c(cnc2n1)C(=O)NCCc1ccccc1 InChI=1S/C18H17N3O2/c1-12-7-8-14-16(22)15(11-20-17(14)21-12)18(23)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,21,22) NOPDFTZVAJQFFF-UHFFFAOYSA-N 50171753 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid phenethyl-amide::CHEMBL371131 Adenosine receptor A1 Homo sapiens 730 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171753&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403636 104057947 CHEMBL371131 ZINC28526519 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316846 CC1CCC(CC1)NC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C17H21N3O2/c1-10-3-6-12(7-4-10)20-17(22)14-9-18-16-13(15(14)21)8-5-11(2)19-16/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,20,22)(H,18,19,21) LJEDDMCIFWLERA-UHFFFAOYSA-N 50171754 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (4-methyl-cyclohexyl)-amide::CHEMBL194704 Adenosine receptor A1 Homo sapiens 5600 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171754&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403622 104057948 CHEMBL194704 ZINC28526540 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316848 Cc1ccc2c(NC3CCCCC3)c(Cc3ccccc3)cnc2n1 InChI=1S/C22H25N3/c1-16-12-13-20-21(25-19-10-6-3-7-11-19)18(15-23-22(20)24-16)14-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,19H,3,6-7,10-11,14H2,1H3,(H,23,24,25) RHHLBQWOANJNGP-UHFFFAOYSA-N 50171757 (3-Benzyl-7-methyl-[1,8]naphthyridin-4-yl)-cyclohexyl-amine::CHEMBL195460 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171757&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403599 104057951 CHEMBL195460 ZINC28523444 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316851 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1 InChI=1S/C15H13N3O3/c1-9-4-5-11-13(19)12(8-16-14(11)18-9)15(20)17-7-10-3-2-6-21-10/h2-6,8H,7H2,1H3,(H,17,20)(H,16,18,19) YTAXNXDGKHGYIC-UHFFFAOYSA-N 50171759 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (furan-2-ylmethyl)-amide::CHEMBL196138 Adenosine receptor A1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171759&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403643 104057953 CHEMBL196138 ZINC28525675 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314737 Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12 InChI=1S/C18H22N6/c1-24-12-19-15-16(20-13-8-4-2-5-9-13)22-18(23-17(15)24)21-14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H2,20,21,22,23) ZLDPIMAJOWKRLI-UHFFFAOYSA-N 50170817 CHEMBL188967::N*6*-Cyclohexyl-9-methyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A1 Homo sapiens 1880 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170817&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11324734 104057197 CHEMBL188967 ZINC13648488 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314738 CCc1ccccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1 InChI=1S/C19H24N6/c1-2-13-8-6-7-11-15(13)23-19-24-17-16(20-12-21-17)18(25-19)22-14-9-4-3-5-10-14/h6-8,11-12,14H,2-5,9-10H2,1H3,(H3,20,21,22,23,24,25) HBRLMBOTICTIEA-UHFFFAOYSA-N 50170820 CHEMBL426076::N*6*-Cyclohexyl-N*2*-(2-ethyl-phenyl)-9H-purine-2,6-diamine Adenosine receptor A1 Homo sapiens 3170 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170820&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44397718 104057200 CHEMBL426076 ZINC28460320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314741 C1CCCC(CCC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 InChI=1S/C19H24N6/c1-2-5-9-14(10-6-3-1)22-18-16-17(21-13-20-16)24-19(25-18)23-15-11-7-4-8-12-15/h4,7-8,11-14H,1-3,5-6,9-10H2,(H3,20,21,22,23,24,25) MSEVQUIRSAPIPS-UHFFFAOYSA-N 50170821 CHEMBL365026::N*6*-Cyclooctyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A1 Homo sapiens 4470.0 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170821&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11484484 104057201 CHEMBL365026 ZINC13648474 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314749 C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12 InChI=1S/C17H19N5S/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22) NFXCEGOWTIZWIH-UHFFFAOYSA-N 50170818 CHEMBL191270::Cyclohexyl-(2-phenylsulfanyl-9H-purin-6-yl)-amine Adenosine receptor A1 Homo sapiens 3000 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170818&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11450197 104057198 CHEMBL191270 ZINC13648485 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314750 C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 InChI=1S/C22H27N7O/c1-2-15-11-14(1)12-18(15)26-21-19-20(24-13-23-19)27-22(28-21)25-16-3-5-17(6-4-16)29-7-9-30-10-8-29/h3-6,13-15,18H,1-2,7-12H2,(H3,23,24,25,26,27,28) TYCRGJHWMDJLCO-UHFFFAOYSA-N 50170827 CHEMBL446698::N*6*-Bicyclo[2.2.1]hept-2-yl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine Adenosine receptor A1 Homo sapiens 34000 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170827&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44397776 104057207 CHEMBL446698 ZINC28463439 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314757 CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1 InChI=1S/C19H25N7/c1-26(2)15-10-8-14(9-11-15)23-19-24-17-16(20-12-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25) ADHPIOBOQMGIPQ-UHFFFAOYSA-N 50170823 CHEMBL366216::N*6*-Cyclohexyl-N*2*-(4-dimethylamino-phenyl)-9H-purine-2,6-diamine Adenosine receptor A1 Homo sapiens 3900 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170823&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11302588 104057203 CHEMBL366216 ZINC13648471 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314758 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12 InChI=1S/C17H19N5O/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22) OGCQBCHLFMBCCE-UHFFFAOYSA-N 50170816 CHEMBL363419::Cyclohexyl-(2-phenoxy-9H-purin-6-yl)-amine Adenosine receptor A1 Homo sapiens 26000 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170816&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11771279 104057196 CHEMBL363419 ZINC13648479 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314760 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) ZFLJHSQHILSNCM-UHFFFAOYSA-N 50170831 CHEMBL188343::N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine::N6-cyclohexyl-N2-(4-morpholinophenyl)-9H-purine-2,6-diamine::N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170831&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 210332 104057211 70723 CHEMBL188343 ZINC03620786 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314762 CC(C)N(C)c1nc2c(NC3CC4CC3CC4O)ncnc2n1C InChI=1S/C17H26N6O/c1-9(2)22(3)17-21-14-15(18-8-19-16(14)23(17)4)20-12-6-11-5-10(12)7-13(11)24/h8-13,24H,5-7H2,1-4H3,(H,18,19,20) FTVZUYADPTUEKI-UHFFFAOYSA-N 50170833 5-[8-(Isopropyl-methyl-amino)-9-methyl-9H-purin-6-ylamino]-bicyclo[2.2.1]heptan-2-ol::CHEMBL363129 Adenosine receptor A1 Homo sapiens 1.7 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170833&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9902054 104057213 CHEMBL363129 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314767 C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 InChI=1S/C18H22N6/c1-2-5-9-13(8-4-1)21-17-15-16(20-12-19-15)23-18(24-17)22-14-10-6-3-7-11-14/h3,6-7,10-13H,1-2,4-5,8-9H2,(H3,19,20,21,22,23,24) YDYCGADXGCIRTH-UHFFFAOYSA-N 50170830 CHEMBL187458::N*6*-Cycloheptyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A1 Homo sapiens 1720 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170830&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11738790 104057210 CHEMBL187458 ZINC11688822 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314774 Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12 InChI=1S/C19H24N6/c1-25-13-20-16-17(21-14-9-5-2-3-6-10-14)23-19(24-18(16)25)22-15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H2,21,22,23,24) HXXOYJATCRBRHE-UHFFFAOYSA-N 50170826 CHEMBL188958::N*6*-Cycloheptyl-9-methyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A1 Homo sapiens 1940 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170826&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11232994 104057206 CHEMBL188958 ZINC13648490 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316862 CC(C)CCNC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C15H19N3O2/c1-9(2)6-7-16-15(20)12-8-17-14-11(13(12)19)5-4-10(3)18-14/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,17,18,19) XPPSZUBTUCEBEE-UHFFFAOYSA-N 50171767 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (3-methyl-butyl)-amide::CHEMBL194860 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171767&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403623 104057961 CHEMBL194860 ZINC28526541 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316867 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1 InChI=1S/C16H14N4O2/c17-13-7-6-11-14(21)12(9-18-15(11)20-13)16(22)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,22)(H3,17,18,20,21) WNFUASCGEDHFRX-UHFFFAOYSA-N 50171769 7-Amino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL196375 Adenosine receptor A1 Homo sapiens 630 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171769&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403556 104057963 CHEMBL196375 ZINC28526139 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316869 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1 InChI=1S/C17H15N3O2/c1-11-7-8-13-15(21)14(10-18-16(13)20-11)17(22)19-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,22)(H,18,20,21) MRUDLHYHNREGHO-UHFFFAOYSA-N 50171770 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL194331 Adenosine receptor A1 Homo sapiens 630 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171770&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403609 104057964 CHEMBL194331 ZINC28523074 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316870 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C16H13ClN4O2/c17-10-3-1-9(2-4-10)7-20-16(23)12-8-19-15-11(14(12)22)5-6-13(18)21-15/h1-6,8H,7H2,(H,20,23)(H3,18,19,21,22) TVYCDYDWZLPFMY-UHFFFAOYSA-N 50171771 7-Amino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-chloro-benzylamide::CHEMBL196306 Adenosine receptor A1 Homo sapiens 6240 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171771&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403555 104057965 CHEMBL196306 ZINC28526138 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316871 CN1CCN(CC1)NC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C15H19N5O2/c1-10-3-4-11-13(21)12(9-16-14(11)17-10)15(22)18-20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H,18,22)(H,16,17,21) PFSDRKNZQWWEQU-UHFFFAOYSA-N 50171765 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (4-methyl-piperazin-1-yl)-amide::CHEMBL194756 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171765&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403618 104057959 CHEMBL194756 ZINC28526608 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316879 Cc1ccc2c(N=[N+]=[N-])c(Cc3ccccc3)cnc2n1 InChI=1S/C16H13N5/c1-11-7-8-14-15(20-21-17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 GFTOIPQCHLKALF-UHFFFAOYSA-N 50171773 5-Azido-6-benzyl-2-methyl-[1,8]naphthyridine::CHEMBL194401 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171773&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403591 104057967 CHEMBL194401 ZINC28526372 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316886 Cc1ccc2c(O)c(CC(=O)NC3CCCCC3)cnc2n1 InChI=1S/C17H21N3O2/c1-11-7-8-14-16(22)12(10-18-17(14)19-11)9-15(21)20-13-5-3-2-4-6-13/h7-8,10,13H,2-6,9H2,1H3,(H,20,21)(H,18,19,22) WDOGTDLSUBIDBZ-UHFFFAOYSA-N 50171756 CHEMBL198769::N-Cyclohexyl-2-(7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridin-3-yl)-acetamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171756&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403549 104057950 CHEMBL198769 ZINC28527045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316901 Cc1ccc2c(O)c(CC(=O)NCc3ccccc3)cnc2n1 InChI=1S/C18H17N3O2/c1-12-7-8-15-17(23)14(11-20-18(15)21-12)9-16(22)19-10-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23) JOECIIRHZUATDH-UHFFFAOYSA-N 50171774 CHEMBL198874::N-Benzyl-2-(7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridin-3-yl)-acetamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171774&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403550 104057968 CHEMBL198874 ZINC28527047 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316908 Cc1ccc2c(Cl)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H13ClN2/c1-11-7-8-14-15(17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 ZHONSKVMKNREJB-UHFFFAOYSA-N 50171778 6-Benzyl-5-chloro-2-methyl-[1,8]naphthyridine::CHEMBL380586 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171778&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403590 104057972 CHEMBL380586 ZINC28526371 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316917 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C17H14ClN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22) BCPIVBRTJNYLEK-UHFFFAOYSA-N 50171783 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-chloro-benzylamide::CHEMBL195522 Adenosine receptor A1 Homo sapiens 1630 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171783&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9945283 104057977 CHEMBL195522 ZINC13919119 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316918 Cc1ccc2c(O)c(Cc3ccccc3Cl)cnc2n1 InChI=1S/C16H13ClN2O/c1-10-6-7-13-15(20)12(9-18-16(13)19-10)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3,(H,18,19,20) TVGXHFOPOIUKGO-UHFFFAOYSA-N 50171760 3-(2-Chloro-benzyl)-7-methyl-[1,8]naphthyridin-4-ol::CHEMBL195357 Adenosine receptor A1 Homo sapiens 4160.0 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171760&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403601 104057954 CHEMBL195357 ZINC28523446 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316920 Cc1ccc2c(O)c(cnc2n1)C(=O)NN1CCOCC1 InChI=1S/C14H16N4O3/c1-9-2-3-10-12(19)11(8-15-13(10)16-9)14(20)17-18-4-6-21-7-5-18/h2-3,8H,4-7H2,1H3,(H,17,20)(H,15,16,19) JSMGSYKGVHOBBH-UHFFFAOYSA-N 50171761 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid morpholin-4-ylamide::CHEMBL382107 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171761&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403611 104057955 CHEMBL382107 ZINC28523167 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314781 C1CCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 InChI=1S/C17H20N6/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)22-17(23-16)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H3,18,19,20,21,22,23) FDFMDLSSHFEJOS-UHFFFAOYSA-N 50170822 CHEMBL188592::N*6*-Cyclohexyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A1 Homo sapiens 2730 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170822&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11243768 104057202 CHEMBL188592 ZINC13648454 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316928 Cc1ccc2c(O)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H14N2O/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19) QRUPNIJLOWMQBO-UHFFFAOYSA-N 50171758 3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol::CHEMBL198760 Adenosine receptor A1 Homo sapiens 4180 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171758&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15557795 104057952 CHEMBL198760 ZINC28527026 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316934 Cc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1 InChI=1S/C18H17N3O2/c1-11-3-6-13(7-4-11)9-20-18(23)15-10-19-17-14(16(15)22)8-5-12(2)21-17/h3-8,10H,9H2,1-2H3,(H,20,23)(H,19,21,22) CWPSZVWRTWBHKE-UHFFFAOYSA-N 50171766 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methyl-benzylamide::CHEMBL194956 Adenosine receptor A1 Homo sapiens 1580 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171766&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403635 104057960 CHEMBL194956 ZINC28526518 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316938 CC(NC(=O)c1cnc2nc(C)ccc2c1O)c1ccccc1 InChI=1S/C18H17N3O2/c1-11-8-9-14-16(22)15(10-19-17(14)20-11)18(23)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,23)(H,19,20,22) MSQYTUVOQBAORZ-UHFFFAOYSA-N 50171755 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (1-phenyl-ethyl)-amide::CHEMBL383134 Adenosine receptor A1 Homo sapiens 717 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171755&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403644 104057949 CHEMBL383134 ZINC28525677 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316944 Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H16N4/c1-11-7-8-14-15(20-17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9,17H2,1H3,(H,18,19,20) DJJCXLWOUHOPRW-UHFFFAOYSA-N 50171762 (3-Benzyl-7-methyl-[1,8]naphthyridin-4-yl)-hydrazine::CHEMBL195356 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171762&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403600 104057956 CHEMBL195356 ZINC28523445 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316946 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(F)cc1 InChI=1S/C17H14FN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22) QMAMYFKQVIXZAF-UHFFFAOYSA-N 50171751 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-fluoro-benzylamide::CHEMBL196665 Adenosine receptor A1 Homo sapiens 1650 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171751&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403629 104057945 CHEMBL196665 ZINC28524628 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316966 COc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1 InChI=1S/C18H17N3O3/c1-11-3-8-14-16(22)15(10-19-17(14)21-11)18(23)20-9-12-4-6-13(24-2)7-5-12/h3-8,10H,9H2,1-2H3,(H,20,23)(H,19,21,22) BCUYZUSIUCGMDQ-UHFFFAOYSA-N 50171763 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methoxy-benzylamide::CHEMBL197359 Adenosine receptor A1 Homo sapiens 4370 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171763&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403630 104057957 CHEMBL197359 ZINC28524629 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50316968 Cc1ccc2c(O)c(cnc2n1)C(=O)NC1CCCCC1 InChI=1S/C16H19N3O2/c1-10-7-8-12-14(20)13(9-17-15(12)18-10)16(21)19-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,19,21)(H,17,18,20) UAOHPZFNVPCRPA-UHFFFAOYSA-N 50171777 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid cyclohexylamide::CHEMBL373317 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171777&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44403621 104057971 CHEMBL373317 ZINC28526466 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315023 C(Nc1nc2ccccc2c2nn(cc12)-c1ccccc1)c1ccccc1 InChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-20-16-27(18-11-5-2-6-12-18)26-22(20)19-13-7-8-14-21(19)25-23/h1-14,16H,15H2,(H,24,25) OWFJXVRKRPLGNW-UHFFFAOYSA-N 50170943 Benzyl-(2-phenyl-2H-pyrazolo[4,3-c]quinolin-4-yl)-amine::CHEMBL190612 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170943&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11233413 104057268 CHEMBL190612 ZINC13648699 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315025 CCc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C18H15N3O/c1-2-12-7-9-13(10-8-12)21-11-15-17(20-21)14-5-3-4-6-16(14)19-18(15)22/h3-11H,2H2,1H3,(H,19,22) OPFOVCZHKRQWQG-UHFFFAOYSA-N 50170945 2-(4-Ethyl-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL188436 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170945&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11380704 104057270 CHEMBL188436 ZINC13648696 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315031 c1n(nc2c1cnc1ccccc21)-c1ccccc1 InChI=1S/C16H11N3/c1-2-6-13(7-3-1)19-11-12-10-17-15-9-5-4-8-14(15)16(12)18-19/h1-11H GUVLEBBZKMQLIY-UHFFFAOYSA-N 50170942 2-Phenyl-2H-pyrazolo[4,3-c]quinoline::CHEMBL190111 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170942&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11470612 104057267 CHEMBL190111 ZINC13648697 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315037 O=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1 InChI=1S/C16H11N3O/c20-16-13-10-19(11-6-2-1-3-7-11)18-15(13)12-8-4-5-9-14(12)17-16/h1-10H,(H,17,20) MLKWAMMFYQAITL-UHFFFAOYSA-N 50170944 2-Phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL364319 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170944&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11414315 104057269 CHEMBL364319 ZINC13648684 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315039 Fc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C16H10FN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21) XFSGUADXNUJUFE-UHFFFAOYSA-N 50170949 2-(4-Fluoro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL363516 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170949&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11150155 104057274 CHEMBL363516 ZINC13648692 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315042 Clc1ccccc1-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C16H10ClN3O/c17-12-6-2-4-8-14(12)20-9-11-15(19-20)10-5-1-3-7-13(10)18-16(11)21/h1-9H,(H,18,21) SOCZDGNLSOOGLD-UHFFFAOYSA-N 50170951 2-(2-Chloro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL187766 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170951&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11289440 104057276 CHEMBL187766 ZINC13648694 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315047 COc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-10-14-16(19-20)13-4-2-3-5-15(13)18-17(14)21/h2-10H,1H3,(H,18,21) CNHTZPNBXUMLLT-UHFFFAOYSA-N 50170946 2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL363150 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170946&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11426320 104057271 CHEMBL363150 ZINC13648690 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315055 COc1nc2ccccc2c2nn(cc12)-c1ccccc1 InChI=1S/C17H13N3O/c1-21-17-14-11-20(12-7-3-2-4-8-12)19-16(14)13-9-5-6-10-15(13)18-17/h2-11H,1H3 LBRDTSFKAURCRO-UHFFFAOYSA-N 50170950 4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline::CHEMBL188052 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170950&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11196622 104057275 CHEMBL188052 ZINC13648701 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315058 Clc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21) BPQNNNJTAPOCKJ-UHFFFAOYSA-N 50170948 2-(4-Chloro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL364786 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170948&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11243398 104057273 CHEMBL364786 ZINC13648686 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315061 S=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1 InChI=1S/C16H11N3S/c20-16-13-10-19(11-6-2-1-3-7-11)18-15(13)12-8-4-5-9-14(12)17-16/h1-10H,(H,17,20) GPZDEXVCMNVCGO-UHFFFAOYSA-N 50170947 2-Phenyl-2,5-dihydro-pyrazolo[4,3-c]quinoline-4-thione::CHEMBL187842 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170947&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11219651 104057272 CHEMBL187842 ZINC13648703 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50315065 Cc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-10-14-16(19-20)13-4-2-3-5-15(13)18-17(14)21/h2-10H,1H3,(H,18,21) XQEYFHATXLFKKX-UHFFFAOYSA-N 50170941 2-p-Tolyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL188035 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170941&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11311894 104057266 CHEMBL188035 ZINC13648688 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324926 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(CC(O)=O)cc3Br)nc12 InChI=1S/C26H34BrN9O6/c1-2-29-24(41)21-19(39)20(40)25(42-21)36-13-31-18-22(28)32-26(33-23(18)36)30-5-6-34-7-9-35(10-8-34)16-4-3-14(11-15(16)27)12-17(37)38/h3-4,11,13,19-21,25,39-40H,2,5-10,12H2,1H3,(H,29,41)(H,37,38)(H3,28,30,32,33)/t19-,20+,21-,25+/m0/s1 OXDQFSDLOJUORN-UGCAPWQASA-N 50079320 CHEMBL3416800 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079320&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734366 313073913 CHEMBL3416800 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324927 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3F)nc12 InChI=1S/C24H31ClFN9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)15-4-3-13(25)11-14(15)26/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 JJWGGTHCGBCFBM-QPXQOZNCSA-N 50079321 CHEMBL3416799 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079321&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734365 313073914 CHEMBL3416799 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324928 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(F)c3F)nc12 InChI=1S/C24H31F2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-6-7-33-8-10-34(11-9-33)14-5-3-4-13(25)15(14)26/h3-5,12,17-19,23,36-37H,2,6-11H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 RYJFGYAMEOEOBG-QPXQOZNCSA-N 50079322 CHEMBL3416798 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079322&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734364 313073915 CHEMBL3416798 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324929 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cc(Cl)cc(Cl)c3)nc12 InChI=1S/C24H31Cl2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-3-4-33-5-7-34(8-6-33)15-10-13(25)9-14(26)11-15/h9-12,17-19,23,36-37H,2-8H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 DJUDKDQJDINBSJ-QPXQOZNCSA-N 50079323 CHEMBL3416797 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079323&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734363 313073916 CHEMBL3416797 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324930 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)nc12 InChI=1S/C24H31Cl2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)13-3-4-14(25)15(26)11-13/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 CBDPEPRMHBCTEB-QPXQOZNCSA-N 50079324 CHEMBL3414573 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079324&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734362 313073917 CHEMBL3414573 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324931 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(F)c(Cl)c3)nc12 InChI=1S/C24H31ClFN9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)13-3-4-15(26)14(25)11-13/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 OLGILINEDFSECC-QPXQOZNCSA-N 50079325 CHEMBL3416796 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079325&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734361 313073918 CHEMBL3416796 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324932 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3OC)nc12 InChI=1S/C25H35N9O5/c1-3-27-23(37)20-18(35)19(36)24(39-20)34-14-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)15-6-4-5-7-16(15)38-2/h4-7,14,18-20,24,35-36H,3,8-13H2,1-2H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 OUHCEJLDHLLTDI-CMCWBKRRSA-N 50079326 CHEMBL3416795 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079326&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734360 313073919 CHEMBL3416795 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324933 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3C(F)(F)F)nc12 InChI=1S/C25H32F3N9O4/c1-2-30-22(40)19-17(38)18(39)23(41-19)37-13-32-16-20(29)33-24(34-21(16)37)31-7-8-35-9-11-36(12-10-35)15-6-4-3-5-14(15)25(26,27)28/h3-6,13,17-19,23,38-39H,2,7-12H2,1H3,(H,30,40)(H3,29,31,33,34)/t17-,18+,19-,23+/m0/s1 XXPCRZFQXJAQCO-QPXQOZNCSA-N 50079327 CHEMBL3416794 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079327&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734359 313073920 CHEMBL3416794 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324934 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3Cl)nc12 InChI=1S/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-6-4-3-5-14(15)25/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 JWKSLRKCKNJUQV-QPXQOZNCSA-N 50079328 CHEMBL3416793 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079328&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734358 313073921 CHEMBL3416793 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324935 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3F)nc12 InChI=1S/C24H32FN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-6-4-3-5-14(15)25/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 WASZKNXEGGPPSK-QPXQOZNCSA-N 50079329 CHEMBL3416792 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079329&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734357 313073922 CHEMBL3416792 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324936 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(c3)C(O)=O)nc12 InChI=1S/C25H33N9O6/c1-2-27-22(37)19-17(35)18(36)23(40-19)34-13-29-16-20(26)30-25(31-21(16)34)28-6-7-32-8-10-33(11-9-32)15-5-3-4-14(12-15)24(38)39/h3-5,12-13,17-19,23,35-36H,2,6-11H2,1H3,(H,27,37)(H,38,39)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 YTZMYAPRHFADAK-QPXQOZNCSA-N 50079332 CHEMBL3416791 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079332&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734356 313073923 CHEMBL3416791 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324937 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(Cl)c3)nc12 InChI=1S/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-6-7-32-8-10-33(11-9-32)15-5-3-4-14(25)12-15/h3-5,12-13,17-19,23,35-36H,2,6-11H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 HROCURHVTSOKAN-QPXQOZNCSA-N 50079333 CHEMBL3416790 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079333&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734355 313073924 CHEMBL3416790 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324938 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(CC(O)=O)cc3)nc12 InChI=1S/C26H35N9O6/c1-2-28-24(40)21-19(38)20(39)25(41-21)35-14-30-18-22(27)31-26(32-23(18)35)29-7-8-33-9-11-34(12-10-33)16-5-3-15(4-6-16)13-17(36)37/h3-6,14,19-21,25,38-39H,2,7-13H2,1H3,(H,28,40)(H,36,37)(H3,27,29,31,32)/t19-,20+,21-,25+/m0/s1 KTNUWYYHFXCLOM-UGCAPWQASA-N 50079334 CHEMBL3416789 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079334&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734354 313073925 CHEMBL3416789 C03768 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324939 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)C(O)=O)nc12 InChI=1S/C25H33N9O6/c1-2-27-22(37)19-17(35)18(36)23(40-19)34-13-29-16-20(26)30-25(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(4-6-15)24(38)39/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H,38,39)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 FMQNJPHYANXUNL-QPXQOZNCSA-N 50079335 CHEMBL3416788 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079335&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734353 313073926 CHEMBL3416788 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324940 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(OCCOC)cc3)nc12 InChI=1S/C27H39N9O6/c1-3-29-25(39)22-20(37)21(38)26(42-22)36-16-31-19-23(28)32-27(33-24(19)36)30-8-9-34-10-12-35(13-11-34)17-4-6-18(7-5-17)41-15-14-40-2/h4-7,16,20-22,26,37-38H,3,8-15H2,1-2H3,(H,29,39)(H3,28,30,32,33)/t20-,21+,22-,26+/m0/s1 UFKWKIGRCPIVAD-IMIIHFCZSA-N 50079336 CHEMBL3416787 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079336&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734352 313073927 CHEMBL3416787 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324941 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(OC)cc3)nc12 InChI=1S/C25H35N9O5/c1-3-27-23(37)20-18(35)19(36)24(39-20)34-14-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)15-4-6-16(38-2)7-5-15/h4-7,14,18-20,24,35-36H,3,8-13H2,1-2H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 MVIMKMKGSXJLAG-CMCWBKRRSA-N 50079337 CHEMBL3416786 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079337&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734351 313073928 CHEMBL3416786 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324942 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(C)cc3)nc12 InChI=1S/C25H35N9O4/c1-3-27-23(37)20-18(35)19(36)24(38-20)34-14-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)16-6-4-15(2)5-7-16/h4-7,14,18-20,24,35-36H,3,8-13H2,1-2H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 SAHDAZUFESIDFC-CMCWBKRRSA-N 50079338 CHEMBL3416785 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079338&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734350 313073929 CHEMBL3416785 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324943 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)nc12 InChI=1S/C24H32N10O6/c1-2-26-22(37)19-17(35)18(36)23(40-19)33-13-28-16-20(25)29-24(30-21(16)33)27-7-8-31-9-11-32(12-10-31)14-3-5-15(6-4-14)34(38)39/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,26,37)(H3,25,27,29,30)/t17-,18+,19-,23+/m0/s1 LSZORRNSFRRABA-QPXQOZNCSA-N 50079339 CHEMBL3416784 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079339&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734349 313073930 CHEMBL3416784 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324944 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)C(F)(F)F)nc12 InChI=1S/C25H32F3N9O4/c1-2-30-22(40)19-17(38)18(39)23(41-19)37-13-32-16-20(29)33-24(34-21(16)37)31-7-8-35-9-11-36(12-10-35)15-5-3-14(4-6-15)25(26,27)28/h3-6,13,17-19,23,38-39H,2,7-12H2,1H3,(H,30,40)(H3,29,31,33,34)/t17-,18+,19-,23+/m0/s1 RKLFDOIAXZNEOW-QPXQOZNCSA-N 50079340 CHEMBL3416783 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079340&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734348 313073931 CHEMBL3416783 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324945 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(I)cc3)nc12 InChI=1S/C24H32IN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 IKLBWPAQQVFTEQ-QPXQOZNCSA-N 50079271 CHEMBL3416782 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079271&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734347 103971582 CHEMBL3416782 ZINC38145309 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324946 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Br)cc3)nc12 InChI=1S/C24H32BrN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 XOSDFDDQMHOETR-QPXQOZNCSA-N 50079272 CHEMBL3416781 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079272&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734346 103971583 CHEMBL3416781 ZINC26719844 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324947 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3)nc12 InChI=1S/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 PZLZIKJDRCOOML-QPXQOZNCSA-N 50079273 CHEMBL3416780 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079273&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734345 313073912 CHEMBL3416780 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324948 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(F)cc3)nc12 InChI=1S/C24H32FN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 UUSVRSTYDYSXBA-QPXQOZNCSA-N 50079293 CHEMBL3416779 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079293&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734344 103971603 CHEMBL3416779 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324949 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50324950 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 8.6 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50328149 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O4/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SSKBQNVCIHZKNS-MOROJQBDSA-N 50177307 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic aciddimethylamide::CHEMBL373065 Adenosine receptor A1 Homo sapiens 5870 ChEMBL 10.1016/j.bmcl.2005.10.054 10.7270/Q2BG2NJB 16289820 Gao, ZG; Joshi, BV; Klutz, AM; Kim, SK; Lee, HW; Kim, HO; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177307&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11678491 104062775 CHEMBL373065 ZINC28568835 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314090 CCOC(=O)c1nc(N)nc2nn(CC(C)(C)C)cc12 InChI=1S/C13H19N5O2/c1-5-20-11(19)9-8-6-18(7-13(2,3)4)17-10(8)16-12(14)15-9/h6H,5,7H2,1-4H3,(H2,14,16,17) XHQGCSWKZBZAKF-UHFFFAOYSA-N 50072914 CHEMBL3410300 Adenosine receptor A1 Homo sapiens 4000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072914&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732284 313072697 CHEMBL3410300 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314091 CCOC(=O)c1nc(N)nc2nn(cc12)C(C)C InChI=1S/C11H15N5O2/c1-4-18-10(17)8-7-5-16(6(2)3)15-9(7)14-11(12)13-8/h5-6H,4H2,1-3H3,(H2,12,14,15) BCFHRMXGMCOZQX-UHFFFAOYSA-N 50072915 CHEMBL3410299 Adenosine receptor A1 Homo sapiens 900 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072915&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732283 313072698 CHEMBL3410299 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314092 CCOC(=O)c1nc(N)nc2nn(C)cc12 InChI=1S/C9H11N5O2/c1-3-16-8(15)6-5-4-14(2)13-7(5)12-9(10)11-6/h4H,3H2,1-2H3,(H2,10,12,13) NZZYUVRHXWKSFB-UHFFFAOYSA-N 50072916 CHEMBL3410298 Adenosine receptor A1 Homo sapiens 8800 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072916&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732282 313072699 CHEMBL3410298 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314093 NC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12 InChI=1S/C14H14N6O/c15-12(21)11-10-8-20(19-13(10)18-14(16)17-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19) XHQCEONSIXZRNZ-UHFFFAOYSA-N 50072917 CHEMBL3410297 Adenosine receptor A1 Homo sapiens 40200 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072917&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732281 313072700 CHEMBL3410297 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314094 CC(C)(C)Cn1cc2c(nc(N)nc2n1)C(N)=O InChI=1S/C11H16N6O/c1-11(2,3)5-17-4-6-7(8(12)18)14-10(13)15-9(6)16-17/h4H,5H2,1-3H3,(H2,12,18)(H2,13,15,16) YGMQDUZRDGVRKY-UHFFFAOYSA-N 50072918 CHEMBL3410296 Adenosine receptor A1 Homo sapiens >90000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072918&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732280 313072701 CHEMBL3410296 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314095 CC(C)n1cc2c(nc(N)nc2n1)C(N)=O InChI=1S/C9H12N6O/c1-4(2)15-3-5-6(7(10)16)12-9(11)13-8(5)14-15/h3-4H,1-2H3,(H2,10,16)(H2,11,13,14) RAVXYIJUKCPXFE-UHFFFAOYSA-N 50072919 CHEMBL3410295 Adenosine receptor A1 Homo sapiens 8200 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072919&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732279 313072702 CHEMBL3410295 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314096 Cn1cc2c(nc(N)nc2n1)C(N)=O InChI=1S/C7H8N6O/c1-13-2-3-4(5(8)14)10-7(9)11-6(3)12-13/h2H,1H3,(H2,8,14)(H2,9,11,12) QQMHEWIMZJDRPV-UHFFFAOYSA-N 50072920 CHEMBL3410294 Adenosine receptor A1 Homo sapiens 10200 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072920&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732278 313072703 CHEMBL3410294 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50328157 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N(C)C InChI=1S/C21H26IN7O4/c1-27(2)19(32)16-14(30)15(31)20(33-16)29-10-24-13-17(25-21(28(3)4)26-18(13)29)23-9-11-6-5-7-12(22)8-11/h5-8,10,14-16,20,30-31H,9H2,1-4H3,(H,23,25,26)/t14-,15+,16-,20+/m0/s1 PIOUTPFGYJJVOD-KSVNGYGVSA-N 50177308 (2S,3S,4R,5R)-5-[2-dimethylamino-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid dimethylamide::CHEMBL425581 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.10.054 10.7270/Q2BG2NJB 16289820 Gao, ZG; Joshi, BV; Klutz, AM; Kim, SK; Lee, HW; Kim, HO; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177308&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44407518 104062776 CHEMBL425581 ZINC28568661 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50328153 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 JXJRUAGROQMNET-MOROJQBDSA-N 50177309 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic aciddimethylamide::CHEMBL436485 Adenosine receptor A1 Homo sapiens 6220 ChEMBL 10.1016/j.bmcl.2005.10.054 10.7270/Q2BG2NJB 16289820 Gao, ZG; Joshi, BV; Klutz, AM; Kim, SK; Lee, HW; Kim, HO; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177309&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16656768 104062777 CHEMBL436485 ZINC28568789 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314193 CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C24H23N5O3/c1-2-32-23(31)21-19-16-29(14-13-17-9-5-3-6-10-17)28-22(19)27-24(26-21)25-20(30)15-18-11-7-4-8-12-18/h3-12,16H,2,13-15H2,1H3,(H,25,27,28,30) PHOWAELZHWRVOO-UHFFFAOYSA-N 50072921 CHEMBL3410324 Adenosine receptor A1 Homo sapiens 600 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072921&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732309 313072704 CHEMBL3410324 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314194 CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CC(C)(C)C)cc12 InChI=1S/C21H25N5O3/c1-5-29-19(28)17-15-12-26(13-21(2,3)4)25-18(15)24-20(23-17)22-16(27)11-14-9-7-6-8-10-14/h6-10,12H,5,11,13H2,1-4H3,(H,22,24,25,27) AXPXRNSBQIHZMC-UHFFFAOYSA-N 50072922 CHEMBL3407529 Adenosine receptor A1 Homo sapiens 2700 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072922&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732308 313072705 CHEMBL3407529 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314195 CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(cc12)C(C)C InChI=1S/C19H21N5O3/c1-4-27-18(26)16-14-11-24(12(2)3)23-17(14)22-19(21-16)20-15(25)10-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,20,22,23,25) FLHSYICCYQGDKC-UHFFFAOYSA-N 50072923 CHEMBL3410323 Adenosine receptor A1 Homo sapiens 600 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072923&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732307 313072706 CHEMBL3410323 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314196 CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C)cc12 InChI=1S/C17H17N5O3/c1-3-25-16(24)14-12-10-22(2)21-15(12)20-17(19-14)18-13(23)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,18,20,21,23) CBIKXNIYOMAPLP-UHFFFAOYSA-N 50072924 CHEMBL3410322 Adenosine receptor A1 Homo sapiens 5900 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072924&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732306 313072707 CHEMBL3410322 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314197 CCOC(=O)c1nc(nc2nn(CCc3ccccc3)cc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C30H25N5O4/c1-2-39-29(38)25-24-20-34(19-18-21-12-6-3-7-13-21)33-26(24)32-30(31-25)35(27(36)22-14-8-4-9-15-22)28(37)23-16-10-5-11-17-23/h3-17,20H,2,18-19H2,1H3 BVRMDLWLOZEBBY-UHFFFAOYSA-N 50072925 CHEMBL3410321 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072925&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732305 313072708 CHEMBL3410321 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314198 CCOC(=O)c1nc(nc2nn(cc12)C(C)C)N(C(=O)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C25H23N5O4/c1-4-34-24(33)20-19-15-29(16(2)3)28-21(19)27-25(26-20)30(22(31)17-11-7-5-8-12-17)23(32)18-13-9-6-10-14-18/h5-16H,4H2,1-3H3 SOXQZCFEPUSJJH-UHFFFAOYSA-N 50072926 CHEMBL3410320 Adenosine receptor A1 Homo sapiens 17700 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072926&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732304 313072709 CHEMBL3410320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314199 CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccc(F)c(F)c1)C(=O)c1ccc(F)c(F)c1 InChI=1S/C23H15F4N5O4/c1-3-36-22(35)18-13-10-31(2)30-19(13)29-23(28-18)32(20(33)11-4-6-14(24)16(26)8-11)21(34)12-5-7-15(25)17(27)9-12/h4-10H,3H2,1-2H3 ADGRDHUYXHCLRB-UHFFFAOYSA-N 50072927 CHEMBL3410319 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072927&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732303 313072710 CHEMBL3410319 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314200 CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 InChI=1S/C23H17Br2N5O4/c1-3-34-22(33)18-17-12-29(2)28-19(17)27-23(26-18)30(20(31)13-4-8-15(24)9-5-13)21(32)14-6-10-16(25)11-7-14/h4-12H,3H2,1-2H3 CHJWVVPHWBGCQC-UHFFFAOYSA-N 50072928 CHEMBL3410318 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072928&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732302 313072711 CHEMBL3410318 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314201 CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C23H19N5O4/c1-3-32-22(31)18-17-14-27(2)26-19(17)25-23(24-18)28(20(29)15-10-6-4-7-11-15)21(30)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3 BOYCMKKNTHYKDC-UHFFFAOYSA-N 50072929 CHEMBL3410317 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072929&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732301 313072712 CHEMBL3410317 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314202 CCOC(=O)c1nc(NC(=O)c2ccc(Cl)c(Cl)c2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C23H19Cl2N5O3/c1-2-33-22(32)19-16-13-30(11-10-14-6-4-3-5-7-14)29-20(16)27-23(26-19)28-21(31)15-8-9-17(24)18(25)12-15/h3-9,12-13H,2,10-11H2,1H3,(H,27,28,29,31) BRUPAVPYJVJQSG-UHFFFAOYSA-N 50072930 CHEMBL3410316 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072930&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732300 313072713 CHEMBL3410316 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314203 CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C23H20BrN5O3/c1-2-32-22(31)19-18-14-29(13-12-15-6-4-3-5-7-15)28-20(18)26-23(25-19)27-21(30)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,26,27,28,30) QBYMRAMFCKTLGT-UHFFFAOYSA-N 50072931 CHEMBL3410315 Adenosine receptor A1 Homo sapiens 2600 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072931&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732299 313072714 CHEMBL3410315 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314204 CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C24H23N5O3/c1-3-32-23(31)20-19-15-29(14-13-17-7-5-4-6-8-17)28-21(19)26-24(25-20)27-22(30)18-11-9-16(2)10-12-18/h4-12,15H,3,13-14H2,1-2H3,(H,26,27,28,30) MBWUIIRHOAOLNU-UHFFFAOYSA-N 50072932 CHEMBL3410314 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072932&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732298 313072715 CHEMBL3410314 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314205 CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(CCc3ccccc3)cc12 InChI=1S/C24H20F3N5O3/c1-2-35-22(34)19-18-14-32(13-12-15-6-4-3-5-7-15)31-20(18)29-23(28-19)30-21(33)16-8-10-17(11-9-16)24(25,26)27/h3-11,14H,2,12-13H2,1H3,(H,29,30,31,33) RMRWXGUDLHYZCL-UHFFFAOYSA-N 50072933 CHEMBL3410313 Adenosine receptor A1 Homo sapiens 2500 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072933&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732297 313072716 CHEMBL3410313 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314206 CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C23H20FN5O3/c1-2-32-22(31)19-18-14-29(13-12-15-6-4-3-5-7-15)28-20(18)26-23(25-19)27-21(30)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,26,27,28,30) KQSCJZWDLXEZDH-UHFFFAOYSA-N 50072945 CHEMBL3410312 Adenosine receptor A1 Homo sapiens 5000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072945&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732296 313072728 CHEMBL3410312 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314207 CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C23H21N5O3/c1-2-31-22(30)19-18-15-28(14-13-16-9-5-3-6-10-16)27-20(18)25-23(24-19)26-21(29)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,25,26,27,29) ZMXALNKHFSUKBU-UHFFFAOYSA-N 50072944 CHEMBL3410311 Adenosine receptor A1 Homo sapiens 5100 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072944&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732295 313072727 CHEMBL3410311 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314208 CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CC(C)(C)C)cc12 InChI=1S/C20H22FN5O3/c1-5-29-18(28)15-14-10-26(11-20(2,3)4)25-16(14)23-19(22-15)24-17(27)12-6-8-13(21)9-7-12/h6-10H,5,11H2,1-4H3,(H,23,24,25,27) AOHCYMLALZJVBO-UHFFFAOYSA-N 50072943 CHEMBL3410310 Adenosine receptor A1 Homo sapiens 2700 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072943&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732294 313072726 CHEMBL3410310 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314209 CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(cc12)C(C)C InChI=1S/C19H21N5O3/c1-5-27-18(26)15-14-10-24(11(2)3)23-16(14)21-19(20-15)22-17(25)13-8-6-12(4)7-9-13/h6-11H,5H2,1-4H3,(H,21,22,23,25) AISSNBLVMLYLSU-UHFFFAOYSA-N 50072942 CHEMBL3410309 Adenosine receptor A1 Homo sapiens 700 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072942&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732293 313072725 CHEMBL3410309 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314210 CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(cc12)C(C)C InChI=1S/C19H18F3N5O3/c1-4-30-17(29)14-13-9-27(10(2)3)26-15(13)24-18(23-14)25-16(28)11-5-7-12(8-6-11)19(20,21)22/h5-10H,4H2,1-3H3,(H,24,25,26,28) DAPFYERABRZDPB-UHFFFAOYSA-N 50072941 CHEMBL3410308 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072941&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732292 313072724 CHEMBL3410308 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314211 CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(cc12)C(C)C InChI=1S/C18H18FN5O3/c1-4-27-17(26)14-13-9-24(10(2)3)23-15(13)21-18(20-14)22-16(25)11-5-7-12(19)8-6-11/h5-10H,4H2,1-3H3,(H,21,22,23,25) ZXGTVMAAMPCTLC-UHFFFAOYSA-N 50072940 CHEMBL3410307 Adenosine receptor A1 Homo sapiens 2800 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072940&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732291 313072723 CHEMBL3410307 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314212 CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(cc12)C(C)C InChI=1S/C18H19N5O3/c1-4-26-17(25)14-13-10-23(11(2)3)22-15(13)20-18(19-14)21-16(24)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,20,21,22,24) GLPSECISKLWDKC-UHFFFAOYSA-N 50072939 CHEMBL3410306 Adenosine receptor A1 Homo sapiens 4300 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072939&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732290 313072722 CHEMBL3410306 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314213 CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C)cc12 InChI=1S/C17H17N5O3/c1-4-25-16(24)13-12-9-22(3)21-14(12)19-17(18-13)20-15(23)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3,(H,19,20,21,23) VUAMPWLAFDHKGW-UHFFFAOYSA-N 50072938 CHEMBL3410305 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072938&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732289 313072721 CHEMBL3410305 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314214 CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(C)cc12 InChI=1S/C17H14F3N5O3/c1-3-28-15(27)12-11-8-25(2)24-13(11)22-16(21-12)23-14(26)9-4-6-10(7-5-9)17(18,19)20/h4-8H,3H2,1-2H3,(H,22,23,24,26) CTTSAMREDVDOSI-UHFFFAOYSA-N 50072937 CHEMBL3410304 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072937&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732288 313072720 CHEMBL3410304 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314215 CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(C)cc12 InChI=1S/C16H14FN5O3/c1-3-25-15(24)12-11-8-22(2)21-13(11)19-16(18-12)20-14(23)9-4-6-10(17)7-5-9/h4-8H,3H2,1-2H3,(H,19,20,21,23) DHKBACQAIALRLB-UHFFFAOYSA-N 50072936 CHEMBL3410303 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072936&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732287 313072719 CHEMBL3410303 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314216 CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(C)cc12 InChI=1S/C16H15N5O3/c1-3-24-15(23)12-11-9-21(2)20-13(11)18-16(17-12)19-14(22)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,18,19,20,22) KDWOXEFIHWAUCY-UHFFFAOYSA-N 50072935 CHEMBL3410302 Adenosine receptor A1 Homo sapiens 14000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072935&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732286 313072718 CHEMBL3410302 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50314217 CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12 InChI=1S/C16H17N5O2/c1-2-23-15(22)13-12-10-21(20-14(12)19-16(17)18-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,17,19,20) RQLOGUYSNDTKSC-UHFFFAOYSA-N 50072934 CHEMBL3410301 Adenosine receptor A1 Homo sapiens 3500 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072934&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732285 313072717 CHEMBL3410301 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322896 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H15N9O3/c1-2-21-18-10(17-19-21)8-6(22)7(23)12(24-8)20-4-16-5-9(13)14-3-15-11(5)20/h3-4,6-8,12,22-23H,2H2,1H3,(H2,13,14,15)/t6-,7+,8-,12+/m0/s1 MAIBBTQWLYABNH-FLNNQWSLSA-N 50078422 CHEMBL3414936 Adenosine receptor A1 Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078422&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732971 103970973 CHEMBL3414936 ZINC13557127 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322897 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 InChI=1S/C12H14ClN9O3/c1-2-22-19-9(18-20-22)7-5(23)6(24)11(25-7)21-3-15-4-8(14)16-12(13)17-10(4)21/h3,5-7,11,23-24H,2H2,1H3,(H2,14,16,17)/t5-,6+,7-,11+/m0/s1 KCFSAWYFAYDKQD-QMWPFBOUSA-N 50078423 CHEMBL3414937 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078423&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56627882 103970974 CHEMBL3414937 ZINC13557116 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322898 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 InChI=1S/C13H17N9O3/c1-3-22-19-11(18-20-22)9-7(23)8(24)13(25-9)21-5-17-6-10(14-2)15-4-16-12(6)21/h4-5,7-9,13,23-24H,3H2,1-2H3,(H,14,15,16)/t7-,8+,9-,13+/m0/s1 XLNLUOHNKKMJIG-QRIDJOKKSA-N 50078424 CHEMBL3414938 Adenosine receptor A1 Homo sapiens 97 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078424&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732972 103970975 CHEMBL3414938 ZINC13557090 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322899 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 InChI=1S/C13H16ClN9O3/c1-3-23-20-10(19-21-23)8-6(24)7(25)12(26-8)22-4-16-5-9(15-2)17-13(14)18-11(5)22/h4,6-8,12,24-25H,3H2,1-2H3,(H,15,17,18)/t6-,7+,8-,12+/m0/s1 PCCBWJONNFIZJH-FLNNQWSLSA-N 50078425 CHEMBL3414939 Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078425&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732973 103970976 CHEMBL3414939 ZINC26485708 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322900 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 InChI=1S/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/m0/s1 DEVAFUMPTPLYOY-BQVMBELUSA-N 50078426 CHEMBL3414940 Adenosine receptor A1 Homo sapiens 8.6 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078426&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732974 103970977 CHEMBL3414940 ZINC13557146 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322901 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/m0/s1 IRRXNCFETDOCCQ-AEISUSGSSA-N 50078427 CHEMBL3414941 Adenosine receptor A1 Homo sapiens 3.6 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078427&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732975 103970978 CHEMBL3414941 ZINC13557124 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322902 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc12 InChI=1S/C19H25N9O3/c1-2-28-25-17(24-26-28)15-13(29)14(30)19(31-15)27-8-22-12-16(20-7-21-18(12)27)23-11-6-9-3-4-10(11)5-9/h7-11,13-15,19,29-30H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11+,13+,14-,15+,19-/m1/s1 VBEDZGFOGYYFAA-VAKQMTRESA-N 50078428 CHEMBL3414942 Adenosine receptor A1 Homo sapiens 4.7 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078428&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732976 103970979 CHEMBL3414942 ZINC13557104 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322903 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)nc(Cl)nc12 InChI=1S/C19H24ClN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-21-11-15(23-19(20)24-17(11)28)22-10-6-8-3-4-9(10)5-8/h7-10,12-14,18,30-31H,2-6H2,1H3,(H,22,23,24)/t8-,9-,10+,12+,13-,14+,18-/m1/s1 UQOODWFWVKWKPZ-TXWJGDGWSA-N 50078429 CHEMBL3414943 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078429&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732977 103970980 CHEMBL3414943 ZINC13557093 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322904 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)ncnc12 InChI=1S/C16H21N9O4/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(29-12)24-7-19-9-13(17-6-18-15(9)24)20-8-4-3-5-28-8/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,20)/t8?,10-,11+,12-,16+/m0/s1 OZWIQLJRUYENLH-BHETVNITSA-N 50078430 CHEMBL3414944 Adenosine receptor A1 Homo sapiens 8.7 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078430&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732978 103970981 CHEMBL3414944 ZINC13557112 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322905 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)nc(Cl)nc12 InChI=1S/C16H20ClN9O4/c1-2-26-23-13(22-24-26)11-9(27)10(28)15(30-11)25-6-18-8-12(19-7-4-3-5-29-7)20-16(17)21-14(8)25/h6-7,9-11,15,27-28H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10+,11-,15+/m0/s1 HAPGDXOGTRCUFO-GEVFMYGYSA-N 50078537 CHEMBL3414945 Adenosine receptor A1 Homo sapiens 7.4 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078537&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732979 313073672 CHEMBL3414945 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322906 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 InChI=1S/C18H17ClFN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-23-11-15(21-6-22-17(11)28)24-10-4-3-8(19)5-9(10)20/h3-7,12-14,18,30-31H,2H2,1H3,(H,21,22,24)/t12-,13+,14-,18+/m0/s1 SLEKQRJDUVSCPY-MOROJQBDSA-N 50078538 CHEMBL3414946 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078538&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732980 313073673 CHEMBL3414946 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325058 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccccc1 InChI=1S/C22H28N8O4/c1-2-24-20(33)17-15(31)16(32)21(34-17)30-12-25-14-18(23)26-22(27-19(14)30)29-10-8-28(9-11-29)13-6-4-3-5-7-13/h3-7,12,15-17,21,31-32H,2,8-11H2,1H3,(H,24,33)(H2,23,26,27)/t15-,16+,17-,21+/m0/s1 VOMVVKGMVNIXGH-GRXQJBFDSA-N 50079345 CHEMBL3416801 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079345&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734367 313073936 CHEMBL3416801 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325059 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(F)cc1 InChI=1S/C22H27FN8O4/c1-2-25-20(34)17-15(32)16(33)21(35-17)31-11-26-14-18(24)27-22(28-19(14)31)30-9-7-29(8-10-30)13-5-3-12(23)4-6-13/h3-6,11,15-17,21,32-33H,2,7-10H2,1H3,(H,25,34)(H2,24,27,28)/t15-,16+,17-,21+/m0/s1 QZSNGWNKFCNGLP-GRXQJBFDSA-N 50079346 CHEMBL3416802 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079346&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734368 313073937 CHEMBL3416802 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325060 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OC)cc1 InChI=1S/C23H30N8O5/c1-3-25-21(34)18-16(32)17(33)22(36-18)31-12-26-15-19(24)27-23(28-20(15)31)30-10-8-29(9-11-30)13-4-6-14(35-2)7-5-13/h4-7,12,16-18,22,32-33H,3,8-11H2,1-2H3,(H,25,34)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1 LVFIZODFBSVCOC-RQXXJAGISA-N 50079347 CHEMBL3416803 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079347&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734369 313073938 CHEMBL3416803 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325061 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCCOC)cc1 InChI=1S/C25H34N8O6/c1-3-27-23(36)20-18(34)19(35)24(39-20)33-14-28-17-21(26)29-25(30-22(17)33)32-10-8-31(9-11-32)15-4-6-16(7-5-15)38-13-12-37-2/h4-7,14,18-20,24,34-35H,3,8-13H2,1-2H3,(H,27,36)(H2,26,29,30)/t18-,19+,20-,24+/m0/s1 DHSVSNGIGFVEQT-CMCWBKRRSA-N 50079348 CHEMBL3416804 Adenosine receptor A1 Homo sapiens 147 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079348&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734370 313073939 CHEMBL3416804 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325062 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccccc2)cc1 InChI=1S/C29H34N8O5/c1-2-31-27(40)24-22(38)23(39)28(42-24)37-17-32-21-25(30)33-29(34-26(21)37)36-14-12-35(13-15-36)19-8-10-20(11-9-19)41-16-18-6-4-3-5-7-18/h3-11,17,22-24,28,38-39H,2,12-16H2,1H3,(H,31,40)(H2,30,33,34)/t22-,23+,24-,28+/m0/s1 BMVQYTBZDSZAEL-NLJXWPIHSA-N 50079349 CHEMBL3416805 Adenosine receptor A1 Homo sapiens 243 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079349&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734371 313073940 CHEMBL3416805 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325063 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(Cl)cc2)cc1 InChI=1S/C29H33ClN8O5/c1-2-32-27(41)24-22(39)23(40)28(43-24)38-16-33-21-25(31)34-29(35-26(21)38)37-13-11-36(12-14-37)19-7-9-20(10-8-19)42-15-17-3-5-18(30)6-4-17/h3-10,16,22-24,28,39-40H,2,11-15H2,1H3,(H,32,41)(H2,31,34,35)/t22-,23+,24-,28+/m0/s1 MUNVDVWWEQGHID-NLJXWPIHSA-N 50079350 CHEMBL3416806 Adenosine receptor A1 Homo sapiens 8.1 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079350&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734372 313073941 CHEMBL3416806 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325064 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(F)cc2)cc1 InChI=1S/C29H33FN8O5/c1-2-32-27(41)24-22(39)23(40)28(43-24)38-16-33-21-25(31)34-29(35-26(21)38)37-13-11-36(12-14-37)19-7-9-20(10-8-19)42-15-17-3-5-18(30)6-4-17/h3-10,16,22-24,28,39-40H,2,11-15H2,1H3,(H,32,41)(H2,31,34,35)/t22-,23+,24-,28+/m0/s1 GESPVKNCXDLKEW-NLJXWPIHSA-N 50079351 CHEMBL3416807 Adenosine receptor A1 Homo sapiens 45 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079351&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734373 313073942 CHEMBL3416807 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325065 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C30H33F3N8O5/c1-2-35-27(44)24-22(42)23(43)28(46-24)41-16-36-21-25(34)37-29(38-26(21)41)40-13-11-39(12-14-40)19-7-9-20(10-8-19)45-15-17-3-5-18(6-4-17)30(31,32)33/h3-10,16,22-24,28,42-43H,2,11-15H2,1H3,(H,35,44)(H2,34,37,38)/t22-,23+,24-,28+/m0/s1 FKJZJHHCFXKNFO-NLJXWPIHSA-N 50079352 CHEMBL3416808 Adenosine receptor A1 Homo sapiens 4.5 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079352&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734374 313073943 CHEMBL3416808 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325066 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccncc2)cc1 InChI=1S/C28H33N9O5/c1-2-31-26(40)23-21(38)22(39)27(42-23)37-16-32-20-24(29)33-28(34-25(20)37)36-13-11-35(12-14-36)18-3-5-19(6-4-18)41-15-17-7-9-30-10-8-17/h3-10,16,21-23,27,38-39H,2,11-15H2,1H3,(H,31,40)(H2,29,33,34)/t21-,22+,23-,27+/m0/s1 KRSDSGUJIIYWTO-NBCVKUGOSA-N 50079353 CHEMBL3416809 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079353&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734375 313073944 CHEMBL3416809 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325067 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCCCc2ccccc2)cc1 InChI=1S/C31H38N8O5/c1-2-33-29(42)26-24(40)25(41)30(44-26)39-19-34-23-27(32)35-31(36-28(23)39)38-16-14-37(15-17-38)21-10-12-22(13-11-21)43-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,19,24-26,30,40-41H,2,6,9,14-18H2,1H3,(H,33,42)(H2,32,35,36)/t24-,25+,26-,30+/m0/s1 GDLSEFIWYFWPFI-YRIIQKNPSA-N 50079354 CHEMBL3416810 Adenosine receptor A1 Homo sapiens 3.6 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079354&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734376 313073945 CHEMBL3416810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325068 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCC(=O)OCC)cc1 InChI=1S/C26H34N8O7/c1-3-28-24(38)21-19(36)20(37)25(41-21)34-14-29-18-22(27)30-26(31-23(18)34)33-11-9-32(10-12-33)15-5-7-16(8-6-15)40-13-17(35)39-4-2/h5-8,14,19-21,25,36-37H,3-4,9-13H2,1-2H3,(H,28,38)(H2,27,30,31)/t19-,20+,21-,25+/m0/s1 GATMPFQLRGDCAR-UGCAPWQASA-N 50079355 CHEMBL3416811 Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079355&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734377 313073946 CHEMBL3416811 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322907 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12 InChI=1S/C18H16Cl2FN9O3/c1-2-30-27-15(26-28-30)13-11(31)12(32)17(33-13)29-6-22-10-14(24-18(20)25-16(10)29)23-9-4-3-7(19)5-8(9)21/h3-6,11-13,17,31-32H,2H2,1H3,(H,23,24,25)/t11-,12+,13-,17+/m0/s1 HLHAFTISHRHDPF-PFHKOEEOSA-N 50078420 CHEMBL3414947 Adenosine receptor A1 Homo sapiens 65 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078420&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732981 103970971 CHEMBL3414947 ZINC13557132 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50322908 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3I)nc(Cl)nc12 InChI=1S/C19H19ClIN9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(20)25-17(11)29)22-7-9-5-3-4-6-10(9)21/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SXSHOTNATXYYEG-MOROJQBDSA-N 50078421 CHEMBL3414948 Adenosine receptor A1 Homo sapiens 65 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078421&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118732982 103970972 CHEMBL3414948 ZINC13557150 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325125 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CCc4ccccc4)CC3)nc12 InChI=1S/C26H37N9O4/c1-2-28-24(38)21-19(36)20(37)25(39-21)35-16-30-18-22(27)31-26(32-23(18)35)29-9-11-34-14-12-33(13-15-34)10-8-17-6-4-3-5-7-17/h3-7,16,19-21,25,36-37H,2,8-15H2,1H3,(H,28,38)(H3,27,29,31,32)/t19-,20+,21-,25+/m0/s1 GLQXBKNCFOACJO-UGCAPWQASA-N 50079341 CHEMBL3416778 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079341&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734343 313073932 CHEMBL3416778 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325126 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(Cc4ccccc4)CC3)nc12 InChI=1S/C25H35N9O4/c1-2-27-23(37)20-18(35)19(36)24(38-20)34-15-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)14-16-6-4-3-5-7-16/h3-7,15,18-20,24,35-36H,2,8-14H2,1H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 KOEBHQWXJSXWRR-CMCWBKRRSA-N 50079342 CHEMBL3416777 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079342&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734342 313073933 CHEMBL3416777 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325127 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCCN3CCN(CC3)c3ccccc3)nc12 InChI=1S/C25H35N9O4/c1-2-27-23(37)20-18(35)19(36)24(38-20)34-15-29-17-21(26)30-25(31-22(17)34)28-9-6-10-32-11-13-33(14-12-32)16-7-4-3-5-8-16/h3-5,7-8,15,18-20,24,35-36H,2,6,9-14H2,1H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 APKBJUYYYJBSCQ-CMCWBKRRSA-N 50079343 CHEMBL3416776 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079343&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734341 313073934 CHEMBL3416776 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50325128 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3)nc12 InChI=1S/C24H33N9O4/c1-2-26-22(36)19-17(34)18(35)23(37-19)33-14-28-16-20(25)29-24(30-21(16)33)27-8-9-31-10-12-32(13-11-31)15-6-4-3-5-7-15/h3-7,14,17-19,23,34-35H,2,8-13H2,1H3,(H,26,36)(H3,25,27,29,30)/t17-,18+,19-,23+/m0/s1 KZRRJUCUDUDDFB-QPXQOZNCSA-N 50079344 CHEMBL3416775 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079344&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118734340 313073935 CHEMBL3416775 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327238 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31) MCFKNUKIBRIAQU-UHFFFAOYSA-N 50176738 1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL372086 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176738&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10029879 104062385 CHEMBL372086 ZINC28564306 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327241 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)14-11-28-33(12-14)13-17-29-21(38-32-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31) IOTRJIZEQHVEOO-UHFFFAOYSA-N 50176743 1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL199692 Adenosine receptor A1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176743&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406567 104062390 CHEMBL199692 ZINC28566849 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327248 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2OC)c1 InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)15-12-25-30(13-15)14-18-26-21(29-36-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) YDUJXUZNKIBUEF-UHFFFAOYSA-N 50176745 8-(1-((3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200278 Adenosine receptor A1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176745&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406555 104062392 CHEMBL200278 ZINC28564108 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327251 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(c2)C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-8-34-21-18(22(36)35(9-4-2)23(34)37)30-19(31-21)15-11-28-33(12-15)13-17-29-20(32-38-17)14-6-5-7-16(10-14)24(25,26)27/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,30,31) QMECXENLVJOBDP-UHFFFAOYSA-N 50176737 1,3-dipropyl-8-(1-((3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL199471 Adenosine receptor A1 Homo sapiens 3500 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176737&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406617 104062384 CHEMBL199471 ZINC28564300 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327253 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(OC)cc2)c1 InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) UAXKZWUMGLHFAO-UHFFFAOYSA-N 50176747 8-(1-((5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200230 Adenosine receptor A1 Homo sapiens 3900 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176747&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406570 104062394 CHEMBL200230 ZINC28564158 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327254 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(OC)c2)c1 InChI=1S/C24H26N8O4/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)16-12-25-30(13-16)14-18-26-21(29-36-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28) VHCMKIWJHOKZOE-UHFFFAOYSA-N 50176749 8-(1-((3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL371676 Adenosine receptor A1 Homo sapiens 2200 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176749&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406562 104062396 CHEMBL371676 ZINC28564268 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327255 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(OC)cc2)c1 InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)16-12-25-30(13-16)14-18-26-21(29-36-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) OLIHDMQNBFBNIO-UHFFFAOYSA-N 50176744 8-(1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL371731 Adenosine receptor A1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176744&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406556 104062391 CHEMBL371731 ZINC28564110 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327257 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(Cl)c2)c1 InChI=1S/C23H23ClN8O3/c1-3-8-31-20-18(22(33)32(9-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28) FBMNTUOAGVOQKV-UHFFFAOYSA-N 50176746 8-(1-((5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200146 Adenosine receptor A1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176746&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406625 104062393 CHEMBL200146 ZINC28564190 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327259 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(OC)c2)c1 InChI=1S/C24H26N8O4/c1-4-9-31-21-19(23(33)32(10-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28) TWNLJNRWYREDIQ-UHFFFAOYSA-N 50176741 8-(1-((5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL370860 Adenosine receptor A1 Homo sapiens 810 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176741&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406588 104062388 CHEMBL370860 ZINC28564216 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327268 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2)c1 InChI=1S/C23H24N8O3/c1-3-10-30-21-18(22(32)31(11-4-2)23(30)33)26-19(27-21)16-12-24-29(13-16)14-17-25-20(28-34-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) BVWSIHNUHWGLEX-UHFFFAOYSA-N 50176751 8-(1-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200779 Adenosine receptor A1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176751&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11705261 104062398 CHEMBL200779 ZINC03838252 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327271 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C#N)c1 InChI=1S/C24H23N9O3/c1-3-9-32-22-19(23(34)33(10-4-2)24(32)35)28-20(29-22)17-12-26-31(13-17)14-18-27-21(30-36-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29) KZPFLNKFNJQZAA-UHFFFAOYSA-N 50176757 4-(5-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazol-3-yl)benzonitrile::CHEMBL199908 Adenosine receptor A1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176757&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406642 104062404 CHEMBL199908 ZINC28564245 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327274 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(c2)C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-8-34-20-18(22(36)35(9-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-6-5-7-16(10-14)24(25,26)27/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,30,31) OILNSCATNARSBR-UHFFFAOYSA-N 50176759 1,3-dipropyl-8-(1-((5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL382929 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176759&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266784 104062405 CHEMBL382929 ZINC28566929 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327275 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2OC)c1 InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)15-12-25-30(13-15)14-18-26-22(36-29-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) FHVPRDYQIAZXMF-UHFFFAOYSA-N 50176762 8-(1-((5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL372951 Adenosine receptor A1 Homo sapiens 930 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176762&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958814 104062407 CHEMBL372951 ZINC28564224 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327278 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2Cl)c1 InChI=1S/C24H24ClN7O3/c1-3-9-31-22-20(23(33)32(10-4-2)24(31)34)27-21(28-22)15-12-26-30(13-15)14-16-11-19(35-29-16)17-7-5-6-8-18(17)25/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,27,28) LZJYHGFREOFXEY-UHFFFAOYSA-N 50176761 8-(1-((5-(2-chlorophenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200154 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176761&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266763 104062406 CHEMBL200154 ZINC28563696 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327279 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1 InChI=1S/C24H24ClN7O3/c1-3-9-31-22-20(23(33)32(10-4-2)24(31)34)27-21(28-22)16-12-26-30(13-16)14-18-11-19(35-29-18)15-5-7-17(25)8-6-15/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,27,28) KUJVZIZZBPNWDC-UHFFFAOYSA-N 50176754 8-(1-((5-(4-chlorophenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL427016 Adenosine receptor A1 Homo sapiens 540 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176754&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266738 104062401 CHEMBL427016 ZINC28563699 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327288 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(OC)cc2)c1 InChI=1S/C25H27N7O4/c1-4-10-31-23-21(24(33)32(11-5-2)25(31)34)27-22(28-23)17-13-26-30(14-17)15-18-12-20(36-29-18)16-6-8-19(35-3)9-7-16/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,27,28) QQBJPXVLPLOQPX-UHFFFAOYSA-N 50176763 8-(1-((5-(4-methoxyphenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL371649 Adenosine receptor A1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176763&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406328 104062408 CHEMBL371649 ZINC28563217 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327291 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(OC)c2)c1 InChI=1S/C25H27N7O4/c1-4-9-31-23-21(24(33)32(10-5-2)25(31)34)27-22(28-23)17-13-26-30(14-17)15-18-12-20(36-29-18)16-7-6-8-19(11-16)35-3/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,27,28) BKOBBKIEQUOBRF-UHFFFAOYSA-N 50176765 8-(1-((5-(3-methoxyphenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200747 Adenosine receptor A1 Homo sapiens 3500 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176765&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44406403 104062410 CHEMBL200747 ZINC28563256 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50327292 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1 InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) HLTWCJCIPYYETO-UHFFFAOYSA-N 50176740 8-(1-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL372084 Adenosine receptor A1 Homo sapiens 740 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176740&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11260448 104062387 CHEMBL372084 ZINC03838251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330611 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccco1 InChI=1S/C13H7ClN4O2/c14-7-3-4-8-9(6-7)18-12(13(19)15-8)16-11(17-18)10-2-1-5-20-10/h1-6H,(H,15,19) RBJMHOHGXKHALS-UHFFFAOYSA-N 50039954 8-Chloro-2-furan-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one::8-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one::CHEMBL316824 Adenosine receptor A1 Homo sapiens 2740 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039954&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10108084 103947149 CHEMBL316824 ZINC13677387 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330615 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330619 O=C(NCc1ccccc1)c1nc2n(n1)c1ccccc1[nH]c2=O InChI=1S/C17H13N5O2/c23-16(18-10-11-6-2-1-3-7-11)14-20-15-17(24)19-12-8-4-5-9-13(12)22(15)21-14/h1-9H,10H2,(H,18,23)(H,19,24) HFFLVEUMMZNPPE-UHFFFAOYSA-N 50178631 4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2-benzylcarboxamide::CHEMBL334286 Adenosine receptor A1 Homo sapiens 205 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178631&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11659733 104063935 CHEMBL334286 ZINC13677450 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330625 O=c1[nH]c2ccccc2n2nc(nc12)-c1ccco1 InChI=1S/C13H8N4O2/c18-13-12-15-11(10-6-3-7-19-10)16-17(12)9-5-2-1-4-8(9)14-13/h1-7H,(H,14,18) PZZYDGACWZJJKA-UHFFFAOYSA-N 50039960 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one::2-Furan-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one::CHEMBL330399 Adenosine receptor A1 Homo sapiens 1926 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039960&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10083550 103947155 CHEMBL330399 ZINC13677399 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330633 O=c1[nH]c2ccccc2n2nc(nc12)-c1cccs1 InChI=1S/C13H8N4OS/c18-13-12-15-11(10-6-3-7-19-10)16-17(12)9-5-2-1-4-8(9)14-13/h1-7H,(H,14,18) HBSPGCUYFBGEIL-UHFFFAOYSA-N 50039949 2-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one::2-Thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one::CHEMBL328437 Adenosine receptor A1 Homo sapiens 2 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039949&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10468228 103947144 CHEMBL328437 ZINC13677401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330635 COc1ccc(cc1)-c1nc2c(N)nc3ccc(Cl)cc3n2n1 InChI=1S/C16H12ClN5O/c1-23-11-5-2-9(3-6-11)15-20-16-14(18)19-12-7-4-10(17)8-13(12)22(16)21-15/h2-8H,1H3,(H2,18,19) CIFHDXKENKUWEC-UHFFFAOYSA-N 50178632 8-chloro-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine::CHEMBL200479 Adenosine receptor A1 Homo sapiens 36 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178632&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10471588 104063936 CHEMBL200479 ZINC13677381 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330650 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A1 Homo sapiens 6200 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330669 COc1ccc(cc1)-c1nc2n(n1)c1cc(Cl)ccc1[nH]c2=O InChI=1S/C16H11ClN4O2/c1-23-11-5-2-9(3-6-11)14-19-15-16(22)18-12-7-4-10(17)8-13(12)21(15)20-14/h2-8H,1H3,(H,18,22) CRNSVOSEEIHNQB-UHFFFAOYSA-N 50039959 8-Chloro-2-(4-methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one::8-chloro-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one::CHEMBL98678 Adenosine receptor A1 Homo sapiens 3.29 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039959&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10449090 103947154 CHEMBL98678 ZINC13677385 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330673 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccoc1 InChI=1S/C13H7ClN4O2/c14-8-1-2-9-10(5-8)18-12(13(19)15-9)16-11(17-18)7-3-4-20-6-7/h1-6H,(H,15,19) CUIKPBVRWVBNLW-UHFFFAOYSA-N 50039956 8-Chloro-2-furan-3-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one::8-chloro-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one::CHEMBL327853 Adenosine receptor A1 Homo sapiens 124.7 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039956&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10062568 103947151 CHEMBL327853 ZINC13677391 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330676 COc1ccc(cc1)-c1nc2n(n1)c1cc(C)ccc1[nH]c2=O InChI=1S/C17H14N4O2/c1-10-3-8-13-14(9-10)21-16(17(22)18-13)19-15(20-21)11-4-6-12(23-2)7-5-11/h3-9H,1-2H3,(H,18,22) NBEMRJHTWXYMPT-UHFFFAOYSA-N 50178634 4,5-dihydro-8-methyl-2-(4-methoxyphenyl)-1,2,4-triazolo[1,5-a]quinoxalin-4-one::CHEMBL197376 Adenosine receptor A1 Homo sapiens 2.86 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178634&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11522379 104063938 CHEMBL197376 ZINC13677404 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50331729 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A1 Homo sapiens 0.83 ChEMBL 10.1021/jm050726b 10.7270/Q2CZ36QQ 16366590 Jacobson, KA; Gao, ZG; Tchilibon, S; Duong, HT; Joshi, BV; Sonin, D; Liang, BT National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50331752 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CCC3CC4)ncnc12 InChI=1S/C17H23N5O4/c23-5-10-13(24)14(25)17(26-10)22-7-20-12-15(18-6-19-16(12)22)21-11-8-1-2-9(11)4-3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10-,11?,13-,14-,17-/m1/s1 ITCAHRKJDUXOHO-WGJBVEHFSA-N 50179182 (2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-7-ylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL176551 Adenosine receptor A1 Homo sapiens 0.48 ChEMBL 10.1021/jm050726b 10.7270/Q2CZ36QQ 16366590 Jacobson, KA; Gao, ZG; Tchilibon, S; Duong, HT; Joshi, BV; Sonin, D; Liang, BT National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50179182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50179182&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44405094 104064410 CHEMBL176551 ZINC13677752 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50331755 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 SQMWSBKSHWARHU-SDBHATRESA-N 25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378 Adenosine receptor A1 Homo sapiens 0.45 ChEMBL 10.1021/jm050726b 10.7270/Q2CZ36QQ 16366590 Jacobson, KA; Gao, ZG; Tchilibon, S; Duong, HT; Joshi, BV; Sonin, D; Liang, BT National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25400&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3GU 3GU8 657378 56374539 CHEMBL68738 ZINC03995996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333795 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C21H22ClIN6O3S/c22-21-27-17(24-8-11-2-1-3-12(23)6-11)13-18(28-21)29(9-26-13)20-15(31)14(30)16(33-20)19(32)25-7-10-4-5-10/h1-3,6,9-10,14-16,20,30-31H,4-5,7-8H2,(H,25,32)(H,24,27,28)/t14-,15+,16-,20+/m0/s1 UITITPRUOJYYPF-KSVNGYGVSA-N 50180196 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-(cyclopropylmethyl)-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL200279 Adenosine receptor A1 Homo sapiens 1720 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180196&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11657274 104065329 CHEMBL200279 ZINC28564195 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333798 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1 InChI=1S/C15H19ClN6O3S/c1-17-11-7-12(21-15(16)20-11)22(5-19-7)14-9(24)8(23)10(26-14)13(25)18-4-6-2-3-6/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,18,25)(H,17,20,21)/t8-,9+,10-,14+/m0/s1 UAUZBZZLEWYDFT-AEISUSGSSA-N 50180199 (2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-N-(cyclopropylmethyl)-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL201427 Adenosine receptor A1 Homo sapiens 638 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180199&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11516857 104065332 CHEMBL201427 ZINC13678650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333804 Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1 InChI=1S/C22H25ClN6O3S/c1-11-4-2-3-5-13(11)9-24-18-14-19(28-22(23)27-18)29(10-26-14)21-16(31)15(30)17(33-21)20(32)25-8-12-6-7-12/h2-5,10,12,15-17,21,30-31H,6-9H2,1H3,(H,25,32)(H,24,27,28)/t15-,16+,17-,21+/m0/s1 IRNUNBGDMONGTC-GRXQJBFDSA-N 50180202 (2S,3S,4R,5R)-5-[2-chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid cyclopropylmethyl-amide::CHEMBL199541 Adenosine receptor A1 Homo sapiens 1980 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180202&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11663152 104065335 CHEMBL199541 ZINC13678685 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333805 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 InChI=1S/C12H15ClN6O3S/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18)/t5-,6+,7-,11+/m0/s1 KQEDWUPJFFHILG-QMWPFBOUSA-N 50180206 (2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::2-chloro-N6-methyl-4'-thioadenosine-5'-methyluronamide::CHEMBL201706 Adenosine receptor A1 Homo sapiens 1330 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180206&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9863617 104065339 CHEMBL201706 ZINC03817169 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333806 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCC(C)C InChI=1S/C16H23ClN6O3S/c1-7(2)4-5-19-14(26)11-9(24)10(25)15(27-11)23-6-20-8-12(18-3)21-16(17)22-13(8)23/h6-7,9-11,15,24-25H,4-5H2,1-3H3,(H,19,26)(H,18,21,22)/t9-,10+,11-,15+/m0/s1 NEZROWUWNJMYCW-BQVMBELUSA-N 50180207 (2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-isopentyl-tetrahydrothiophene-2-carboxamide::CHEMBL201324 Adenosine receptor A1 Homo sapiens 4070 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180207&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11611370 104065340 CHEMBL201324 ZINC13678652 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333807 Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 InChI=1S/C21H23ClN6O3S/c1-10-4-2-3-5-11(10)8-23-17-13-18(27-21(22)26-17)28(9-24-13)20-15(30)14(29)16(32-20)19(31)25-12-6-7-12/h2-5,9,12,14-16,20,29-30H,6-8H2,1H3,(H,25,31)(H,23,26,27)/t14-,15+,16-,20+/m0/s1 AZMGORPHNMBVBU-KSVNGYGVSA-N 50180205 (2S,3S,4R,5R)-5-[2-chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid cyclopropylamide::CHEMBL200072 Adenosine receptor A1 Homo sapiens 76.7 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180205&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11634270 104065338 CHEMBL200072 ZINC13678683 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333808 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 InChI=1S/C14H17ClN6O3S/c1-16-10-6-11(20-14(15)19-10)21(4-17-6)13-8(23)7(22)9(25-13)12(24)18-5-2-3-5/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,18,24)(H,16,19,20)/t7-,8+,9-,13+/m0/s1 OSCYWEXJFANEJM-QRIDJOKKSA-N 50180208 (2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL199877 Adenosine receptor A1 Homo sapiens 47.8 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180208&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11589094 104065341 CHEMBL199877 ZINC13678649 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333809 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IRIUFVPPSHYZRM-PFHKOEEOSA-N 50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732 Adenosine receptor A1 Homo sapiens 193 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180197&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11813713 104065330 CHEMBL200732 ZINC28563903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333812 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 InChI=1S/C19H21ClN6O3S/c1-9-5-3-4-6-10(9)7-22-15-11-16(25-19(20)24-15)26(8-23-11)18-13(28)12(27)14(30-18)17(29)21-2/h3-6,8,12-14,18,27-28H,7H2,1-2H3,(H,21,29)(H,22,24,25)/t12-,13+,14-,18+/m0/s1 HYMVDRPLNPGRAA-MOROJQBDSA-N 50180198 (2S,3S,4R,5R)-5-[2-chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid methylamide::CHEMBL370187 Adenosine receptor A1 Homo sapiens 507 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180198&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11568586 104065331 CHEMBL370187 ZINC13678677 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333821 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C20H20ClIN6O3S/c21-20-26-16(23-7-9-2-1-3-10(22)6-9)12-17(27-20)28(8-24-12)19-14(30)13(29)15(32-19)18(31)25-11-4-5-11/h1-3,6,8,11,13-15,19,29-30H,4-5,7H2,(H,25,31)(H,23,26,27)/t13-,14+,15-,19+/m0/s1 UJZLLTCIXYYLAN-QCUYGVNKSA-N 50180217 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL370446 Adenosine receptor A1 Homo sapiens 92 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180217&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11650023 104065350 CHEMBL370446 ZINC28564218 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333823 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C21H22ClIN6O3S/c22-21-27-17(24-8-10-3-1-4-11(23)7-10)13-18(28-21)29(9-25-13)20-15(31)14(30)16(33-20)19(32)26-12-5-2-6-12/h1,3-4,7,9,12,14-16,20,30-31H,2,5-6,8H2,(H,26,32)(H,24,27,28)/t14-,15+,16-,20+/m0/s1 YUOKEETUCXPRGI-KSVNGYGVSA-N 50180218 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-cyclobutyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL200407 Adenosine receptor A1 Homo sapiens 126 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180218&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11606834 104065351 CHEMBL200407 ZINC28564201 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333824 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 InChI=1S/C11H13ClN6O3S/c1-14-9(21)6-4(19)5(20)10(22-6)18-2-15-3-7(13)16-11(12)17-8(3)18/h2,4-6,10,19-20H,1H3,(H,14,21)(H2,13,16,17)/t4-,5+,6-,10+/m0/s1 JPMMQQWPKSNQLI-LKCKTBJASA-N 50180219 (2-chloropurin-9-yl)-3,4-dihydroxytetrahydrothiphene-2-carboxylic acid methyl amide::CHEMBL203357 Adenosine receptor A1 Homo sapiens 89.2 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180219&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11782906 104065352 CHEMBL203357 ZINC13525775 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333830 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C14H17ClN6O3S/c1-16-12(24)9-7(22)8(23)13(25-9)21-4-17-6-10(18-5-2-3-5)19-14(15)20-11(6)21/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,16,24)(H,18,19,20)/t7-,8+,9-,13+/m0/s1 PYZMHDHWCBNNIV-QRIDJOKKSA-N 50180215 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopropylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200184 Adenosine receptor A1 Homo sapiens 37.3 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180215&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11625174 104065348 CHEMBL200184 ZINC13678665 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333834 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C16H19ClN6O3S/c17-16-21-12(19-6-1-2-6)8-13(22-16)23(5-18-8)15-10(25)9(24)11(27-15)14(26)20-7-3-4-7/h5-7,9-11,15,24-25H,1-4H2,(H,20,26)(H,19,21,22)/t9-,10+,11-,15+/m0/s1 SBQDAHCQAHFDOM-BQVMBELUSA-N 50180211 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopropylamino)-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL381868 Adenosine receptor A1 Homo sapiens 4.6 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180211&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11675940 104065344 CHEMBL381868 ZINC13678669 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333835 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C17H23ClN6O3S/c1-2-19-15(27)12-10(25)11(26)16(28-12)24-7-20-9-13(21-8-5-3-4-6-8)22-17(18)23-14(9)24/h7-8,10-12,16,25-26H,2-6H2,1H3,(H,19,27)(H,21,22,23)/t10-,11+,12-,16+/m0/s1 VJMSHFDGTPCLQR-MEQWQQMJSA-N 50180210 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL202189 Adenosine receptor A1 Homo sapiens 2 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180210&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11640487 104065343 CHEMBL202189 ZINC13678675 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333842 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C15H19ClN6O3S/c1-2-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H,19,20,21)/t8-,9+,10-,14+/m0/s1 UUDKVUOONJCNHM-AEISUSGSSA-N 50180204 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopropylamino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL200705 Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180204&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11675684 104065337 CHEMBL200705 ZINC13678667 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333845 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C16H21ClN6O3S/c1-18-14(26)11-9(24)10(25)15(27-11)23-6-19-8-12(20-7-4-2-3-5-7)21-16(17)22-13(8)23/h6-7,9-11,15,24-25H,2-5H2,1H3,(H,18,26)(H,20,21,22)/t9-,10+,11-,15+/m0/s1 RNMMGHXJZWZLKG-BQVMBELUSA-N 50180226 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL381408 Adenosine receptor A1 Homo sapiens 13.9 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180226&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11625772 104065359 CHEMBL381408 ZINC13678673 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333847 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 InChI=1S/C20H23ClN6O3S/c1-3-22-18(30)15-13(28)14(29)19(31-15)27-9-24-12-16(25-20(21)26-17(12)27)23-8-11-7-5-4-6-10(11)2/h4-7,9,13-15,19,28-29H,3,8H2,1-2H3,(H,22,30)(H,23,25,26)/t13-,14+,15-,19+/m0/s1 USHRPXXEHVORLX-QCUYGVNKSA-N 50180203 (2S,3S,4R,5R)-5-[2-chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid ethylamide::CHEMBL200099 Adenosine receptor A1 Homo sapiens 75.8 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180203&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11662646 104065336 CHEMBL200099 ZINC13678679 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333850 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCc1cccc(Cl)c1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C24H21Cl2IN6O3S/c25-14-5-1-3-12(7-14)10-29-22(36)19-17(34)18(35)23(37-19)33-11-30-16-20(31-24(26)32-21(16)33)28-9-13-4-2-6-15(27)8-13/h1-8,11,17-19,23,34-35H,9-10H2,(H,29,36)(H,28,31,32)/t17-,18+,19-,23+/m0/s1 ALMUTPRGHJVYGI-QPXQOZNCSA-N 50180229 (2S,3S,4R,5R)-N-(3-chlorobenzyl)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL199414 Adenosine receptor A1 Homo sapiens 1710 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180229&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11585567 104065362 CHEMBL199414 ZINC28564186 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333857 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O3S/c1-2-22-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(20)26-16(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,2,7H2,1H3,(H,22,30)(H,23,25,26)/t12-,13+,14-,18+/m0/s1 YVYTUCAAWMEQEO-MOROJQBDSA-N 50180209 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL200854 Adenosine receptor A1 Homo sapiens 144 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180209&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11577804 104065342 CHEMBL200854 ZINC28563648 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345577 Clc1ccc(cc1Cl)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 InChI=1S/C23H20Cl2N4/c24-17-12-11-16(13-18(17)25)19-20-23(28-21(26-19)14-7-3-1-4-8-14)29-22(27-20)15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H,26,27,28,29) XPWCKGZFGSNHOU-UHFFFAOYSA-N 50186592 8-cyclohexyl-6-(3,4-dichlorophenyl)-2-phenyl-9H-purine::CHEMBL383130 Adenosine receptor A1 Homo sapiens 37 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186592&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11640419 104070641 CHEMBL383130 ZINC13686559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345578 Clc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 InChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22) FPWZFVSRIINTRB-UHFFFAOYSA-N 50186593 2-(4-chlorophenyl)-6-phenyl-9H-purine::CHEMBL205586 Adenosine receptor A1 Homo sapiens 27 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186593&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11529627 104070642 CHEMBL205586 ZINC13686517 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345583 c1ccc(cc1)-c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C23H16N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-15H,(H,24,25,26,27) UHWGSYGCZUMSMO-UHFFFAOYSA-N 50186596 2,6,8-triphenyl-9H-purine::CHEMBL378959 Adenosine receptor A1 Homo sapiens 21 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186596&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11462181 104070645 CHEMBL378959 ZINC13686534 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345584 Cc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 InChI=1S/C24H24N4/c1-16-12-14-17(15-13-16)20-21-24(27-22(25-20)18-8-4-2-5-9-18)28-23(26-21)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19H,3,6-7,10-11H2,1H3,(H,25,26,27,28) JOTMQRFWDYAWIE-UHFFFAOYSA-N 50186595 8-cyclohexyl-6-(4-tolyl)-2-phenyl-9H-purine::CHEMBL381112 Adenosine receptor A1 Homo sapiens 36 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186595&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11610347 104070644 CHEMBL381112 ZINC13686562 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345585 COc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 InChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-21-15(12-5-3-2-4-6-12)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22) COPIEKYOHOQDKK-UHFFFAOYSA-N 50186591 2-(4-methoxyphenyl)-6-phenyl-9H-purine::CHEMBL207760 Adenosine receptor A1 Homo sapiens 32 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186591&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11536774 104070640 CHEMBL207760 ZINC13686530 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345586 C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27) IGJKVZBNIOTBGI-UHFFFAOYSA-N 50186599 8-cyclohexyl-2,6-diphenyl-9H-purine::CHEMBL207529::LUF-5957 Adenosine receptor A1 Homo sapiens 0.73 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186599&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11523232 104070648 CHEMBL207529 ZINC13686551 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345589 Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 InChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22) OPFZHJCGZXEIRY-UHFFFAOYSA-N 50186597 2-tolyl-6-phenyl-9H-purine::CHEMBL205194 Adenosine receptor A1 Homo sapiens 4 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186597&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11652153 104070646 CHEMBL205194 ZINC13686522 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345590 C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27) IGJKVZBNIOTBGI-UHFFFAOYSA-N 50186599 8-cyclohexyl-2,6-diphenyl-9H-purine::CHEMBL207529::LUF-5957 Adenosine receptor A1 Homo sapiens 477 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186599&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11523232 104070648 CHEMBL207529 ZINC13686551 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345591 Clc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 InChI=1S/C23H21ClN4/c24-18-13-11-15(12-14-18)19-20-23(27-21(25-19)16-7-3-1-4-8-16)28-22(26-20)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,25,26,27,28) ZGEAFRMYSKRSTF-UHFFFAOYSA-N 50186601 8-cyclohexyl-6-(4-chlorophenyl)-2-phenyl-9H-purine::CHEMBL206969 Adenosine receptor A1 Homo sapiens 25 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186601&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11625255 104070650 CHEMBL206969 ZINC13686554 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345595 COc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 InChI=1S/C24H24N4O/c1-29-19-14-12-16(13-15-19)20-21-24(27-22(25-20)17-8-4-2-5-9-17)28-23(26-21)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,25,26,27,28) RUJAVZASKOTMEL-UHFFFAOYSA-N 50186589 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-9H-purine::CHEMBL204779 Adenosine receptor A1 Homo sapiens 3.7 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186589&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11531100 104070638 CHEMBL204779 ZINC13686565 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345597 CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24) LIJDFWULFIYULY-UHFFFAOYSA-N 50186587 8-propyl-2,6-diphenyl-9H-purine::CHEMBL424869 Adenosine receptor A1 Homo sapiens 4.4 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186587&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11565892 104070636 CHEMBL424869 ZINC13686538 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345601 C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26) NDJOQVVSPLVIDN-UHFFFAOYSA-N 50186588 8-cyclopentyl-2,6-diphenyl-9H-purine::CHEMBL207824::LUF-5962 Adenosine receptor A1 Homo sapiens 0.29 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186588&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11617054 104070637 CHEMBL207824 ZINC13686546 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345604 CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24) WOKKQPCDRVUEPM-UHFFFAOYSA-N 50186590 8-isopropyl-2,6-diphenyl-9H-purine::CHEMBL204780::LUF-5956 Adenosine receptor A1 Homo sapiens 0.82 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186590&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11536936 104070639 CHEMBL204780 ZINC13686541 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345605 c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21) WNVFFQZYOFELQA-UHFFFAOYSA-N 50186594 2,6-diphenyl-9H-purine::CHEMBL381729 Adenosine receptor A1 Homo sapiens 4.1 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186594&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11572592 104070643 CHEMBL381729 ZINC13686502 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50345608 Cc1ccc(cc1)-c1nc(-c2ccc(C)cc2)c2[nH]cnc2n1 InChI=1S/C19H16N4/c1-12-3-7-14(8-4-12)16-17-19(21-11-20-17)23-18(22-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,21,22,23) DEIRTPFLGXETKT-UHFFFAOYSA-N 50186598 2,6-bis(4-tolyl)-9H-purine::CHEMBL205192 Adenosine receptor A1 Homo sapiens 235 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186598&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11709210 104070647 CHEMBL205192 ZINC13686510 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50337238 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3 PGGCRGAETLNAJC-UHFFFAOYSA-N 50182020 2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione::CHEMBL426317 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2006.01.052 10.7270/Q2ZC82FS 16458504 Prabhakaran, J; Parsey, RV; Majo, VJ; Hsiung, SC; Milak, MS; Tamir, H; Simpson, NR; Van Heertum, RL; Mann, JJ; Dileep Kumar, JS Columbia University College of Physicians and Surgeons http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182020&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11948707 104066846 CHEMBL426317 ZINC34801069 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50330315 Nc1sc2CCCCc2c1C(=O)c1ccc(Cl)cc1 InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2 OTZVBZFYMFTYKH-UHFFFAOYSA-N 50080540 (2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-(4-chloro-phenyl)-methanone::(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL203347::CHEMBL57997 Adenosine receptor A1 Homo sapiens 4600 ChEMBL 10.1016/j.bmcl.2005.11.037 10.7270/Q21V5DJK 16321527 Baraldi, PG; Pavani, MG; Leung, E; Moorman, AR; Varani, K; Vincenzi, F; Borea, PA; Romagnoli, R Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080540&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 855908 103980695 CHEMBL203347CHEMBL57997 ZINC00411286 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333491 CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O InChI=1S/C36H46FN7O4/c1-2-3-7-28(41-34(46)22-11-14-30-32-26(15-16-43(30)19-22)25-6-4-5-8-27(25)40-32)35(47)42-29(17-21-9-12-23(37)13-10-21)36(48)44-20-24(38)18-31(44)33(39)45/h4-6,8-10,12-13,22,24,28-31,40H,2-3,7,11,14-20,38H2,1H3,(H2,39,45)(H,41,46)(H,42,47)/t22-,24-,28-,29-,30-,31-/m0/s1 HNQHMECPKRTTRV-IEJKQUADSA-N 50083560 CHEMBL3423400 Adenosine receptor A1 Homo sapiens 12000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083560&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44339858 103983223 CHEMBL3423400 ZINC26974036 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333492 CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C43H62N8O6/c1-2-3-12-35(42(56)50-36(26-28-16-19-30(52)20-17-28)43(57)49-34(40(45)54)14-8-9-23-44)47-38(53)15-5-4-10-24-46-41(55)29-18-21-37-39-32(22-25-51(37)27-29)31-11-6-7-13-33(31)48-39/h6-7,11,13,16-17,19-20,29,34-37,48,52H,2-5,8-10,12,14-15,18,21-27,44H2,1H3,(H2,45,54)(H,46,55)(H,47,53)(H,49,57)(H,50,56)/t29-,34-,35-,36-,37-/m0/s1 PJNRWLKSWTWXBR-FETRQNOVSA-N 50083559 CHEMBL3423401 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083559&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44339949 103983222 CHEMBL3423401 ZINC26975408 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333493 NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O 50083509 CHEMBL3423402 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083509&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118736404 313083010 CHEMBL3423402 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333494 NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/m0/s1 TXVUROLPUDSHNS-IRUKTGRDSA-N 50083558 CHEMBL3423403 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083558&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44340255 103983221 CHEMBL3423403 ZINC26979665 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333495 CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C37H51N7O5/c1-2-3-9-30(42-35(47)24-14-17-32-33-27(18-20-44(32)22-24)26-8-4-5-10-28(26)40-33)36(48)43-31(21-23-12-15-25(45)16-13-23)37(49)41-29(34(39)46)11-6-7-19-38/h4-5,8,10,12-13,15-16,24,29-32,40,45H,2-3,6-7,9,11,14,17-22,38H2,1H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t24-,29-,30-,31-,32+/m0/s1 KMGVERQIRHTKMX-MAKWBINYSA-N 50083555 CHEMBL3423404 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083555&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44340113 103983218 CHEMBL3423404 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333496 CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O InChI=1S/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/m0/s1 MWJBXTLFRLDENI-MYLNZVDJSA-N 50083554 CHEMBL3423405 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083554&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44340080 103983217 CHEMBL3423405 ZINC95546313 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333497 CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/m0/s1 BUSZPEZABSAFAL-YWNCIPKLSA-N 50083551 CHEMBL3423406 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083551&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44340116 103983214 CHEMBL3423406 ZINC26974420 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333498 CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/m0/s1 VGAFJYDHFQEKRB-CNRPLSBTSA-N 50083550 CHEMBL3423407 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44340242 103983213 CHEMBL3423407 ZINC26972766 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333499 CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O InChI=1S/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/m0/s1 IBCSETAMVUUPMW-PVURQLNPSA-N 50083546 CHEMBL3423408 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083546&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44340289 103983209 CHEMBL3423408 ZINC26990225 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50333500 CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C43H61FN8O5/c1-2-3-12-35(42(56)51-36(26-28-16-19-30(44)20-17-28)43(57)50-34(40(46)54)14-8-9-23-45)48-38(53)15-5-4-10-24-47-41(55)29-18-21-37-39-32(22-25-52(37)27-29)31-11-6-7-13-33(31)49-39/h6-7,11,13,16-17,19-20,29,34-37,49H,2-5,8-10,12,14-15,18,21-27,45H2,1H3,(H2,46,54)(H,47,55)(H,48,53)(H,50,57)(H,51,56)/t29-,34-,35-,36-,37+/m0/s1 KEGYOUUWACRVPZ-LWFXZEMVSA-N 50083544 CHEMBL3423409 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083544&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44339947 103983207 CHEMBL3423409 ZINC26975362 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349480 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A1 Homo sapiens 594 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349481 Cn1cc2c(n1)nc(N=C(Nc1ccccc1)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C24H19N9O/c1-32-15-18-20(30-32)28-24(33-22(18)27-21(31-33)19-13-8-14-34-19)29-23(25-16-9-4-2-5-10-16)26-17-11-6-3-7-12-17/h2-15H,1H3,(H2,25,26,28,29,30) IPUHAXFCMZSHBO-UHFFFAOYSA-N 50092261 CHEMBL3581298 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092261&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178744 318473200 CHEMBL3581298 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349482 Cc1ccc(NC(Nc2ccc(C)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H23N9O/c1-16-6-10-18(11-7-16)27-25(28-19-12-8-17(2)9-13-19)31-26-30-22-20(15-34(3)32-22)24-29-23(33-35(24)26)21-5-4-14-36-21/h4-15H,1-3H3,(H2,27,28,30,31,32) JEULBSUFEVRVSE-UHFFFAOYSA-N 50092262 CHEMBL3581299 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092262&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178745 318473201 CHEMBL3581299 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349483 COc1ccc(NC(Nc2ccc(OC)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H23N9O3/c1-34-15-20-22(32-34)30-26(35-24(20)29-23(33-35)21-5-4-14-38-21)31-25(27-16-6-10-18(36-2)11-7-16)28-17-8-12-19(37-3)13-9-17/h4-15H,1-3H3,(H2,27,28,30,31,32) XXKKKLBKXQUNHG-UHFFFAOYSA-N 50092263 CHEMBL3581300 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092263&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178746 318473202 CHEMBL3581300 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349484 Cn1cc2c(n1)nc(N=C(Nc1ccc(F)cc1)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C24H17F2N9O/c1-34-13-18-20(32-34)30-24(35-22(18)29-21(33-35)19-3-2-12-36-19)31-23(27-16-8-4-14(25)5-9-16)28-17-10-6-15(26)7-11-17/h2-13H,1H3,(H2,27,28,30,31,32) WLWYRTCMJNWKEG-UHFFFAOYSA-N 50092264 CHEMBL3581301 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092264&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178747 318473203 CHEMBL3581301 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349485 Cn1cc2c(n1)nc(N=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C24H17Cl2N9O/c1-34-13-18-20(32-34)30-24(35-22(18)29-21(33-35)19-3-2-12-36-19)31-23(27-16-8-4-14(25)5-9-16)28-17-10-6-15(26)7-11-17/h2-13H,1H3,(H2,27,28,30,31,32) NQOPEIAFOGFMCM-UHFFFAOYSA-N 50092265 CHEMBL3581302 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092265&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178748 318473204 CHEMBL3581302 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349486 Cn1cc2c(n1)nc(N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C24H17Br2N9O/c1-34-13-18-20(32-34)30-24(35-22(18)29-21(33-35)19-3-2-12-36-19)31-23(27-16-8-4-14(25)5-9-16)28-17-10-6-15(26)7-11-17/h2-13H,1H3,(H2,27,28,30,31,32) VIIZBWPVQKRQPA-UHFFFAOYSA-N 50092266 CHEMBL3581303 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092266&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178749 318473205 CHEMBL3581303 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349487 C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O InChI=1S/C26H17N11O/c1-36-15-20-22(34-36)32-26(37-24(20)31-23(35-37)21-3-2-12-38-21)33-25(29-18-8-4-16(13-27)5-9-18)30-19-10-6-17(14-28)7-11-19/h2-12,15H,1H3,(H2,29,30,32,33,34) RKZDSCCMCAQSRR-UHFFFAOYSA-N 50092277 CHEMBL3581304 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092277&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56012 103990444 CHEMBL3581304 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349488 Cn1cc2c(n1)nc(N=C(Nc1ccc(cc1)[N+]([O-])=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C24H17N11O5/c1-32-13-18-20(30-32)28-24(33-22(18)27-21(31-33)19-3-2-12-40-19)29-23(25-14-4-8-16(9-5-14)34(36)37)26-15-6-10-17(11-7-15)35(38)39/h2-13H,1H3,(H2,25,26,28,29,30) LYRLFABUAACRAW-UHFFFAOYSA-N 50092289 CHEMBL3581305 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092289&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178751 318473206 CHEMBL3581305 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349489 COc1cccc(NC(Nc2cccc(OC)c2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C26H23N9O3/c1-34-15-20-22(32-34)30-26(35-24(20)29-23(33-35)21-11-6-12-38-21)31-25(27-16-7-4-9-18(13-16)36-2)28-17-8-5-10-19(14-17)37-3/h4-15H,1-3H3,(H2,27,28,30,31,32) TVTQPGIMAKWXPU-UHFFFAOYSA-N 50092290 CHEMBL3581306 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092290&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178752 318473207 CHEMBL3581306 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349490 Cn1cc2c(n1)nc(N=C(Nc1cccc(Cl)c1)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C24H17Cl2N9O/c1-34-13-18-20(32-34)30-24(35-22(18)29-21(33-35)19-9-4-10-36-19)31-23(27-16-7-2-5-14(25)11-16)28-17-8-3-6-15(26)12-17/h2-13H,1H3,(H2,27,28,30,31,32) IBFLFWYWQYIYRS-UHFFFAOYSA-N 50092291 CHEMBL3581307 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092291&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178753 318473208 CHEMBL3581307 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349491 Cn1cc2c(n1)nc(N=C(Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C26H17F6N9O/c1-40-13-18-20(38-40)36-24(41-22(18)35-21(39-41)19-9-4-10-42-19)37-23(33-16-7-2-5-14(11-16)25(27,28)29)34-17-8-3-6-15(12-17)26(30,31)32/h2-13H,1H3,(H2,33,34,36,37,38) BCDSKVUYBBUTTM-UHFFFAOYSA-N 50092292 CHEMBL3581308 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092292&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178754 318473209 CHEMBL3581308 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349492 Cn1cc2c(n1)nc(N=C(NC1CCCCC1)NC1CCCCC1)n1nc(nc21)-c1ccco1 InChI=1S/C24H31N9O/c1-32-15-18-20(30-32)28-24(33-22(18)27-21(31-33)19-13-8-14-34-19)29-23(25-16-9-4-2-5-10-16)26-17-11-6-3-7-12-17/h8,13-17H,2-7,9-12H2,1H3,(H2,25,26,28,29,30) UYTNLPDRDXQUQA-UHFFFAOYSA-N 50092293 CHEMBL3581309 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092293&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178755 318473210 CHEMBL3581309 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349493 CC(C)NC(NC(C)C)=Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H23N9O/c1-10(2)19-17(20-11(3)4)23-18-22-14-12(9-26(5)24-14)16-21-15(25-27(16)18)13-7-6-8-28-13/h6-11H,1-5H3,(H2,19,20,22,23,24) BKSINLBGYYVEDX-UHFFFAOYSA-N 50092308 CHEMBL3581310 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092308&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178756 318473211 CHEMBL3581310 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349494 CCN\C(NCCCN(C)C)=N/c1nc2nn(C)cc2c2nc(nn12)-c1ccco1 InChI=1S/C19H26N10O/c1-5-20-18(21-9-7-10-27(2)3)24-19-23-15-13(12-28(4)25-15)17-22-16(26-29(17)19)14-8-6-11-30-14/h6,8,11-12H,5,7,9-10H2,1-4H3,(H2,20,21,23,24,25) AJAAGHYTDBRMNZ-UHFFFAOYSA-N 50092309 CHEMBL3581311 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092309&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122178757 318473212 CHEMBL3581311 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352701 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23) UYDRRQPGDSIMNU-UHFFFAOYSA-N 50042209 4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid::4-(2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid::CHEMBL8565 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm060277v 10.7270/Q2DV1JHP 16821798 Yan, L; Bertarelli, DC; Hayallah, AM; Meyer, H; Klotz, KN; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042209&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5311479 103973817 CHEMBL8565 3286 ZINC03995486 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352730 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29) UZYVMMMONZXOCT-UHFFFAOYSA-N 50190702 8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxanthine::CHEMBL211521 Adenosine receptor A1 Homo sapiens 183 ChEMBL 10.1021/jm060277v 10.7270/Q2DV1JHP 16821798 Yan, L; Bertarelli, DC; Hayallah, AM; Meyer, H; Klotz, KN; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190702&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11525283 104073912 CHEMBL211521 ZINC36273959 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352731 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28) MQFLPQUECNRXNT-UHFFFAOYSA-N 50190706 8-[4-(benzylamidosulfonyl)phenyl]-1-propylxanthine::CHEMBL209230::N-benzyl-4-(2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonamide Adenosine receptor A1 Homo sapiens 54.8 ChEMBL 10.1021/jm060277v 10.7270/Q2DV1JHP 16821798 Yan, L; Bertarelli, DC; Hayallah, AM; Meyer, H; Klotz, KN; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190706&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11690712 104073916 CHEMBL209230 ZINC36273955 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352734 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33) HHNGYTVWOXXKET-UHFFFAOYSA-N 50190709 8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-propyl-1H-purine-2,6(3H,7H)-dione::8-[4-(4-benzylpiperazide-1-sulfonyl)phenyl]-1-propylxanthine::CHEMBL212625 Adenosine receptor A1 Homo sapiens 2067 ChEMBL 10.1021/jm060277v 10.7270/Q2DV1JHP 16821798 Yan, L; Bertarelli, DC; Hayallah, AM; Meyer, H; Klotz, KN; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190709&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11605883 104073919 CHEMBL212625 ZINC35923133 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346364 CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 InChI=1S/C27H30FN5O4S/c1-3-32-24-17-23(29-25(24)26(34)33(4-2)27(32)35)20-8-10-22(11-9-20)38(36,37)31-14-12-30(13-15-31)18-19-6-5-7-21(28)16-19/h5-11,16-17,29H,3-4,12-15,18H2,1-2H3 WMFFSBWHZODQOK-UHFFFAOYSA-N 50186978 6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phenyl)-1,3-diethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL210931 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186978&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44413113 104071017 CHEMBL210931 ZINC36124091 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346365 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-6-8-20(9-7-18)36(34,35)31-12-10-30(11-13-31)16-17-4-3-5-19(26)14-17/h3-9,14-15,27H,10-13,16H2,1-2H3 SUOKLDPUHYJDKC-UHFFFAOYSA-N 50186977 6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL210383 Adenosine receptor A1 Homo sapiens 152 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186977&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10196060 104071016 CHEMBL210383 ZINC34800781 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346369 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCOc1ccccn1 InChI=1S/C21H21N5O5S/c1-25-17-13-16(24-19(17)20(27)26(2)21(25)28)14-6-8-15(9-7-14)32(29,30)23-11-12-31-18-5-3-4-10-22-18/h3-10,13,23-24H,11-12H2,1-2H3 ZSQIRYGBBDFTRD-UHFFFAOYSA-N 50186981 4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yloxy)ethyl)benzenesulfonamide::CHEMBL209208 Adenosine receptor A1 Homo sapiens 396 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186981&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10310578 104071020 CHEMBL209208 ZINC34800795 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346373 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 InChI=1S/C21H21N5O4S/c1-25-18-13-17(24-19(18)20(27)26(2)21(25)28)14-6-8-16(9-7-14)31(29,30)23-12-10-15-5-3-4-11-22-15/h3-9,11,13,23-24H,10,12H2,1-2H3 IQQXLNKUMMWHMO-UHFFFAOYSA-N 50186984 4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide::CHEMBL211762 Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186984&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10288169 104071023 CHEMBL211762 ZINC34800811 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346376 COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)nc1 InChI=1S/C21H21N5O5S/c1-25-18-10-17(24-19(18)20(27)26(2)21(25)28)13-4-8-16(9-5-13)32(29,30)23-11-14-6-7-15(31-3)12-22-14/h4-10,12,23-24H,11H2,1-3H3 HCCJJWRLOLTJKG-UHFFFAOYSA-N 50186975 4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-((5-methoxypyridin-2-yl)methyl)benzenesulfonamide::CHEMBL210457 Adenosine receptor A1 Homo sapiens 101 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44413182 104071014 CHEMBL210457 ZINC36124086 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346377 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 InChI=1S/C25H27N5O4S/c1-27-22-16-21(26-23(22)24(31)28(2)25(27)32)19-8-10-20(11-9-19)35(33,34)30-14-12-29(13-15-30)17-18-6-4-3-5-7-18/h3-11,16,26H,12-15,17H2,1-2H3 BZIYNOFERKYDGM-UHFFFAOYSA-N 50186988 6-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL209019 Adenosine receptor A1 Homo sapiens 415 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186988&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10311222 104071027 CHEMBL209019 ZINC34800778 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346378 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 InChI=1S/C23H25N5O4S/c1-3-14-28-22(29)21-20(27(2)23(28)30)15-19(26-21)16-7-9-18(10-8-16)33(31,32)25-13-11-17-6-4-5-12-24-17/h4-10,12,15,25-26H,3,11,13-14H2,1-2H3 AVWBSFSALRNJKJ-UHFFFAOYSA-N 50186989 4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide::CHEMBL212464 Adenosine receptor A1 Homo sapiens 123 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186989&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10238677 104071028 CHEMBL212464 ZINC34800799 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346384 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 InChI=1S/C25H26BrN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-5-9-20(10-6-18)36(34,35)31-13-11-30(12-14-31)16-17-3-7-19(26)8-4-17/h3-10,15,27H,11-14,16H2,1-2H3 WVCKPHZTZFNJBQ-UHFFFAOYSA-N 50186980 6-(4-{[4-(4-bromobenzyl)piperazin-1-yl]sulfonyl}phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL437309 Adenosine receptor A1 Homo sapiens 183 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186980&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16037920 104071019 CHEMBL437309 ZINC36124080 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346386 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C#N)CC1 InChI=1S/C28H30N6O4S/c1-3-12-34-27(35)26-25(31(2)28(34)36)17-24(30-26)22-8-10-23(11-9-22)39(37,38)33-15-13-32(14-16-33)19-21-6-4-20(18-29)5-7-21/h4-11,17,30H,3,12-16,19H2,1-2H3 WYMLQAIFZKYEIC-UHFFFAOYSA-N 50186979 4-((4-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenylsulfonyl)piperazin-1-yl)methyl)benzonitrile::CHEMBL212416 Adenosine receptor A1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186979&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44413106 104071018 CHEMBL212416 ZINC34800798 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346390 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 InChI=1S/C30H37N5O4S/c1-3-16-34-27-20-26(31-28(27)29(36)35(17-4-2)30(34)37)23-10-12-25(13-11-23)40(38,39)32-24-14-18-33(19-15-24)21-22-8-6-5-7-9-22/h5-13,20,24,31-32H,3-4,14-19,21H2,1-2H3 ZXNALUCCGCWLRY-UHFFFAOYSA-N 50186987 CHEMBL209944::N-(1-benzylpiperidin-4-yl)-4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide Adenosine receptor A1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186987&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10153029 104071026 CHEMBL209944 ZINC34800817 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346392 CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1 InChI=1S/C28H32FN5O4S/c1-3-33-25-17-24(30-26(25)27(35)34(4-2)28(33)36)20-7-11-23(12-8-20)39(37,38)31-22-13-15-32(16-14-22)18-19-5-9-21(29)10-6-19/h5-12,17,22,30-31H,3-4,13-16,18H2,1-2H3 FHNRQFQBRJWCQY-UHFFFAOYSA-N 50186974 CHEMBL210969::N-(1-(4-fluorobenzyl)piperidin-4-yl)-4-(1,3-diethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide Adenosine receptor A1 Homo sapiens 205 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186974&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10196517 104071013 CHEMBL210969 ZINC34800774 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346393 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1 InChI=1S/C25H25F2N5O4S/c1-29-22-14-21(28-23(22)24(33)30(2)25(29)34)16-4-7-19(8-5-16)37(35,36)32-11-9-31(10-12-32)15-17-3-6-18(26)13-20(17)27/h3-8,13-14,28H,9-12,15H2,1-2H3 JIWPLUAJEDDMGO-UHFFFAOYSA-N 50186992 6-(4-(4-(2,4-difluorobenzyl)piperazin-1-ylsulfonyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL210088 Adenosine receptor A1 Homo sapiens 126 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186992&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44413125 104071031 CHEMBL210088 ZINC36124077 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346394 COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cn1 InChI=1S/C20H19N5O5S/c1-24-16-10-15(22-18(16)19(26)25(2)20(24)27)12-4-7-14(8-5-12)31(28,29)23-13-6-9-17(30-3)21-11-13/h4-11,22-23H,1-3H3 FIYWVLDBOIJBSP-UHFFFAOYSA-N 50186986 4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(6-methoxypyridin-3-yl)benzenesulfonamide::CHEMBL210456 Adenosine receptor A1 Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10288197 104071025 CHEMBL210456 ZINC34800780 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346396 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccn1 InChI=1S/C19H17N5O4S/c1-23-15-11-14(21-17(15)18(25)24(2)19(23)26)12-6-8-13(9-7-12)29(27,28)22-16-5-3-4-10-20-16/h3-11,21H,1-2H3,(H,20,22) FDVCPEDATCIYGY-UHFFFAOYSA-N 50186976 4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(pyridin-2-yl)benzenesulfonamide::CHEMBL208705 Adenosine receptor A1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186976&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10237847 104071015 CHEMBL208705 ZINC03818287 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346399 CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 InChI=1S/C23H25N5O4S/c1-3-27-20-15-19(26-21(20)22(29)28(4-2)23(27)30)16-8-10-18(11-9-16)33(31,32)25-14-12-17-7-5-6-13-24-17/h5-11,13,15,25-26H,3-4,12,14H2,1-2H3 STYKGSWLKWOKBR-UHFFFAOYSA-N 50186993 4-(1,3-diethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide::CHEMBL378527 Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186993&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44413096 104071032 CHEMBL378527 ZINC36124097 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346400 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccc(OC)cn1 InChI=1S/C23H25N5O5S/c1-4-11-28-22(29)21-20(27(2)23(28)30)12-19(26-21)15-5-9-18(10-6-15)34(31,32)25-13-16-7-8-17(33-3)14-24-16/h5-10,12,14,25-26H,4,11,13H2,1-3H3 QQQVIQPNCAWTAO-UHFFFAOYSA-N 50186985 CHEMBL212528::N-((5-methoxypyridin-2-yl)methyl)-4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186985&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44413192 104071024 CHEMBL212528 ZINC34800815 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346402 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 InChI=1S/C23H24ClN5O4S2/c1-26-19-13-18(25-21(19)22(30)27(2)23(26)31)15-3-6-17(7-4-15)35(32,33)29-11-9-28(10-12-29)14-16-5-8-20(24)34-16/h3-8,13,25H,9-12,14H2,1-2H3 IPPJNUFPGUBGGY-UHFFFAOYSA-N 50186973 6-(4-(4-((5-chlorothiophen-2-yl)methyl)piperazin-1-ylsulfonyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL211813 Adenosine receptor A1 Homo sapiens 102 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186973&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10218183 104071012 CHEMBL211813 ZINC34800812 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50346407 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 InChI=1S/C28H31N5O6S/c1-3-10-33-23-16-22(29-26(23)27(34)30(2)28(33)35)20-5-7-21(8-6-20)40(36,37)32-13-11-31(12-14-32)17-19-4-9-24-25(15-19)39-18-38-24/h4-9,15-16,29H,3,10-14,17-18H2,1-2H3 DJEKAJRWTYNFPX-UHFFFAOYSA-N 50186983 6-(4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-ylsulfonyl)phenyl)-3-methyl-1-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL211071 Adenosine receptor A1 Homo sapiens 102 ChEMBL 10.1016/j.bmcl.2006.04.074 10.7270/Q28P603M 16697192 Esteve, C; Nueda, A; Diaz, JL; Beleta, J; Cardenas, A; Lozoya, E; Cadavid, MI; Loza, MI; Ryder, H; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186983&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44413202 104071022 CHEMBL211071 ZINC36124094 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362627 CCNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1 InChI=1S/C20H22N8O4/c1-2-21-17-14-18(27(10-23-14)19-16(31)15(30)13(9-29)32-19)26-20(25-17)28-8-11(7-24-28)12-5-3-4-6-22-12/h3-8,10,13,15-16,19,29-31H,2,9H2,1H3,(H,21,25,26)/t13-,15-,16-,19-/m1/s1 CSZTXEWLZCFIMW-NVQRDWNXSA-N 50196537 (2R,3R,4S,5R)-2-(6-(ethylamino)-2-(4-(pyridin-2-yl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL231891 Adenosine receptor A1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196537&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430151 104078253 CHEMBL231891 ZINC28394458 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362631 CCNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C21H28N8O5/c1-2-22-19(33)11-7-24-29(8-11)21-26-17(25-12-5-3-4-6-12)14-18(27-21)28(10-23-14)20-16(32)15(31)13(9-30)34-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t13-,15-,16-,20-/m1/s1 JXSHOKDGHBUWCG-KHTYJDQRSA-N 50196541 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL391208 Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196541&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430177 104078257 CHEMBL391208 ZINC28817644 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362632 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C26H28N8O8/c35-11-16-19(36)20(37)24(42-16)33-12-28-18-21(30-17-2-1-7-41-17)31-26(32-22(18)33)34-10-15(9-29-34)23(38)27-8-13-3-5-14(6-4-13)25(39)40/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,39,40)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1 FTIBWMISNBSPGI-BNCYDMKUSA-N 50196542 4-((1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamido)methyl)benzoic acid::CHEMBL393496 Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196542&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430173 104078258 CHEMBL393496 ZINC28817639 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362635 CNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C19H24N8O6/c1-20-17(31)9-5-22-27(6-9)19-24-15(23-11-3-2-4-32-11)12-16(25-19)26(8-21-12)18-14(30)13(29)10(7-28)33-18/h5-6,8,10-11,13-14,18,28-30H,2-4,7H2,1H3,(H,20,31)(H,23,24,25)/t10-,11-,13-,14-,18-/m1/s1 LCYKPFSTUQZFII-GBUDDTMKSA-N 50196545 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide::CHEMBL232099 Adenosine receptor A1 Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196545&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430156 104078261 CHEMBL232099 ZINC28817612 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362636 CNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C20H26N8O5/c1-21-18(32)10-6-23-28(7-10)20-25-16(24-11-4-2-3-5-11)13-17(26-20)27(9-22-13)19-15(31)14(30)12(8-29)33-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t12-,14-,15-,19-/m1/s1 XNMZVFLCYIWGKD-QEPJRFBGSA-N 50196546 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide::CHEMBL400034 Adenosine receptor A1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196546&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11978313 104078262 CHEMBL400034 ZINC28817643 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362639 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cccn1 InChI=1S/C18H23N7O4/c26-8-11-13(27)14(28)17(29-11)24-9-19-12-15(21-10-4-1-2-5-10)22-18(23-16(12)24)25-7-3-6-20-25/h3,6-7,9-11,13-14,17,26-28H,1-2,4-5,8H2,(H,21,22,23)/t11-,13-,14-,17-/m1/s1 GCCHNJBHBGZOBQ-LSCFUAHRSA-N 50196549 (2R,3R,4S,5R)-2-(6-(cyclopentylamino)-2-(1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL393172 Adenosine receptor A1 Homo sapiens 34 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196549&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11978421 104078265 CHEMBL393172 ZINC28817660 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362644 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1 InChI=1S/C21H23N7O5/c1-22-18-15-19(27(10-23-15)20-17(31)16(30)14(9-29)33-20)26-21(25-18)28-8-12(7-24-28)11-3-5-13(32-2)6-4-11/h3-8,10,14,16-17,20,29-31H,9H2,1-2H3,(H,22,25,26)/t14-,16-,17-,20-/m1/s1 PBPQOBBHDIVSFT-WVSUBDOOSA-N 50196550 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(4-methoxyphenyl)-1H-pyrazol-1-yl)-6-(methylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL231677 Adenosine receptor A1 Homo sapiens >4000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9803956 104078266 CHEMBL231677 ZINC13582908 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362645 CCOC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C20H25N7O7/c1-2-32-19(31)10-6-22-27(7-10)20-24-16(23-12-4-3-5-33-12)13-17(25-20)26(9-21-13)18-15(30)14(29)11(8-28)34-18/h6-7,9,11-12,14-15,18,28-30H,2-5,8H2,1H3,(H,23,24,25)/t11-,12-,14-,15-,18-/m1/s1 QOUQHQPJIVDJRV-AJKMGBEJSA-N 50196552 CHEMBL398588::ethyl 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate Adenosine receptor A1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196552&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430154 104078268 CHEMBL398588 ZINC28817609 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362650 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc3ccccc3n2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C25H25N9O5/c1-2-26-23(38)14-9-28-34(10-14)25-31-21(30-17-8-7-13-5-3-4-6-15(13)29-17)18-22(32-25)33(12-27-18)24-20(37)19(36)16(11-35)39-24/h3-10,12,16,19-20,24,35-37H,2,11H2,1H3,(H,26,38)(H,29,30,31,32)/t16-,19-,20-,24-/m1/s1 JHKPUCDPSAIDJZ-UFRIGAJXSA-N 50196555 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-(quinolin-2-ylamino)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL232513 Adenosine receptor A1 Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196555&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430241 104078271 CHEMBL232513 ZINC28817747 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362651 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O InChI=1S/C19H23N7O6/c27-7-11-13(28)14(29)17(32-11)25-8-20-12-15(22-10-3-1-2-4-10)23-19(24-16(12)25)26-6-9(5-21-26)18(30)31/h5-6,8,10-11,13-14,17,27-29H,1-4,7H2,(H,30,31)(H,22,23,24)/t11-,13-,14-,17-/m1/s1 KQNIKZQXSHVQCH-LSCFUAHRSA-N 50196556 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid::CHEMBL232670 Adenosine receptor A1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196556&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11977966 104078272 CHEMBL232670 ZINC28817650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362659 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cc(ccn3)C(O)=O)nc(nc12)-n1cc(CO)cn1 InChI=1S/C20H20N8O7/c29-6-9-4-23-28(5-9)20-25-16(24-12-3-10(19(33)34)1-2-21-12)13-17(26-20)27(8-22-13)18-15(32)14(31)11(7-30)35-18/h1-5,8,11,14-15,18,29-32H,6-7H2,(H,33,34)(H,21,24,25,26)/t11-,14-,15-,18-/m1/s1 CUROGMTXGMQNAS-XKLVTHTNSA-N 50196562 2-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-9H-purin-6-ylamino)isonicotinic acid::CHEMBL393185 Adenosine receptor A1 Homo sapiens 64 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196562&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430236 104078278 CHEMBL393185 ZINC28817739 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362661 CCOC(=O)c1ccc(CNC(=O)c2cnn(c2)-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 InChI=1S/C28H32N8O8/c1-2-42-27(41)16-7-5-15(6-8-16)10-29-25(40)17-11-31-36(12-17)28-33-23(32-19-4-3-9-43-19)20-24(34-28)35(14-30-20)26-22(39)21(38)18(13-37)44-26/h5-8,11-12,14,18-19,21-22,26,37-39H,2-4,9-10,13H2,1H3,(H,29,40)(H,32,33,34)/t18-,19-,21-,22-,26-/m1/s1 NZSNQQHXVRYBPM-QVCZLDJNSA-N 50196553 CHEMBL393295::ethyl 4-((1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamido)methyl)benzoate Adenosine receptor A1 Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196553&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430171 104078269 CHEMBL393295 ZINC28817638 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362662 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1 InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-10(6-23-27)11-4-2-3-5-21-11/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18-/m1/s1 QNEMXBBBHJLADK-SCFUHWHPSA-N 50196564 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)-2-(4-(pyridin-2-yl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL398587 Adenosine receptor A1 Homo sapiens 3800 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196564&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11475769 104078280 CHEMBL398587 ZINC13582932 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362667 CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C16H20N8O5/c1-17-12-9-13(22-16(21-12)24-4-7(3-20-24)14(28)18-2)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H,18,28)(H,17,21,22)/t8-,10-,11-,15-/m1/s1 NLHSUOFVYXIUGC-ORXWAGORSA-N 50196567 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-(methylamino)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide::CHEMBL234790 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196567&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9865923 104078283 CHEMBL234790 ZINC13582886 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362671 CCNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1 InChI=1S/C22H25N7O5/c1-3-23-19-16-20(28(11-24-16)21-18(32)17(31)15(10-30)34-21)27-22(26-19)29-9-13(8-25-29)12-4-6-14(33-2)7-5-12/h4-9,11,15,17-18,21,30-32H,3,10H2,1-2H3,(H,23,26,27)/t15-,17-,18-,21-/m1/s1 RWRIXGUSCOWTAI-QTQZEZTPSA-N 50196568 (2R,3R,4S,5R)-2-(6-(ethylamino)-2-(4-(4-methoxyphenyl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL400414 Adenosine receptor A1 Homo sapiens 3700 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196568&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11178828 104078284 CHEMBL400414 ZINC13582919 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362679 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccn3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-12-3-1-2-4-20-12)13-17(25-19)26(9-21-13)18-15(31)14(30)11(8-29)32-18/h1-6,9,11,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t11-,14-,15-,18-/m1/s1 VHBCKPOOXBXORR-XKLVTHTNSA-N 50196540 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(pyridin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL234136 Adenosine receptor A1 Homo sapiens 36 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196540&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430206 104078256 CHEMBL234136 ZINC28817684 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362686 CNC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C21H28N8O5/c1-22-19(33)11-7-24-29(8-11)21-26-17(25-12-5-3-2-4-6-12)14-18(27-21)28(10-23-14)20-16(32)15(31)13(9-30)34-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t13-,15-,16-,20-/m1/s1 PCYVLFCVZVITGZ-KHTYJDQRSA-N 50196565 1-(6-(cyclohexylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide::CHEMBL393916 Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196565&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11978309 104078281 CHEMBL393916 ZINC28817674 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362693 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccccc1 InChI=1S/C25H28N8O6/c34-12-16-19(35)20(36)24(39-16)32-13-27-18-21(29-17-7-4-8-38-17)30-25(31-22(18)32)33-11-15(10-28-33)23(37)26-9-14-5-2-1-3-6-14/h1-3,5-6,10-11,13,16-17,19-20,24,34-36H,4,7-9,12H2,(H,26,37)(H,29,30,31)/t16-,17-,19-,20-,24-/m1/s1 HUBYSDJAVMTPID-BNCYDMKUSA-N 50196569 CHEMBL232516::N-benzyl-1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamide Adenosine receptor A1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196569&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430165 104078285 CHEMBL232516 ZINC28817627 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362695 CCOC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C22H29N7O6/c1-2-34-21(33)12-8-24-29(9-12)22-26-18(25-13-6-4-3-5-7-13)15-19(27-22)28(11-23-15)20-17(32)16(31)14(10-30)35-20/h8-9,11,13-14,16-17,20,30-32H,2-7,10H2,1H3,(H,25,26,27)/t14-,16-,17-,20-/m1/s1 AFCSGZQBWPLSJY-WVSUBDOOSA-N 50196554 CHEMBL428716::ethyl 1-(6-(cyclohexylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate Adenosine receptor A1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196554&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11978310 104078270 CHEMBL428716 ZINC28817673 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362700 CCOC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C21H27N7O6/c1-2-33-20(32)11-7-23-28(8-11)21-25-17(24-12-5-3-4-6-12)14-18(26-21)27(10-22-14)19-16(31)15(30)13(9-29)34-19/h7-8,10,12-13,15-16,19,29-31H,2-6,9H2,1H3,(H,24,25,26)/t13-,15-,16-,19-/m1/s1 JLJZTCJMQJJETK-NVQRDWNXSA-N 50196563 CHEMBL392958::ethyl 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate Adenosine receptor A1 Homo sapiens 0.9 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196563&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11977965 104078279 CHEMBL392958 ZINC28817657 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362710 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(F)cc1 InChI=1S/C25H27FN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1 PLHMVORQBRPVOS-BNCYDMKUSA-N 50196573 CHEMBL234779::N-(4-fluorobenzyl)-1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamide Adenosine receptor A1 Homo sapiens 43 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196573&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430169 104078289 CHEMBL234779 ZINC28817633 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362717 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(O)=O InChI=1S/C18H21N7O7/c26-6-9-12(27)13(28)16(32-9)24-7-19-11-14(21-10-2-1-3-31-10)22-18(23-15(11)24)25-5-8(4-20-25)17(29)30/h4-5,7,9-10,12-13,16,26-28H,1-3,6H2,(H,29,30)(H,21,22,23)/t9-,10-,12-,13-,16-/m1/s1 RNCQMPBQKBPUPQ-ZGOQAQPGSA-N 50196559 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid::CHEMBL232515 Adenosine receptor A1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196559&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430163 104078275 CHEMBL232515 ZINC28817624 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362719 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cc(cn1)C(O)=O InChI=1S/C21H25N7O6/c29-8-12-14(30)15(31)18(34-12)27-9-22-13-16(26-21-3-1-10(5-21)2-4-21)24-20(25-17(13)27)28-7-11(6-23-28)19(32)33/h6-7,9-10,12,14-15,18,29-31H,1-5,8H2,(H,32,33)(H,24,25,26)/t10?,12-,14-,15-,18-,21?/m1/s1 QYRXVODTTSPTCR-KLBMMEQYSA-N 50196543 1-(6-(bicyclo[2.2.1]heptan-1-ylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid::CHEMBL394221 Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196543&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430188 104078259 CHEMBL394221 ZINC28817664 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362723 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1 InChI=1S/C20H25N7O4/c28-9-12-14(29)15(30)18(31-12)26-10-21-13-16(25-20-4-2-11(8-20)3-5-20)23-19(24-17(13)26)27-7-1-6-22-27/h1,6-7,10-12,14-15,18,28-30H,2-5,8-9H2,(H,23,24,25)/t11?,12-,14-,15-,18-,20?/m1/s1 WIEQHMVCAWHWJC-HRXWTSITSA-N 50196560 (2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-1-ylamino)-2-(1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL399214 Adenosine receptor A1 Homo sapiens 0.4 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196560&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430192 104078276 CHEMBL399214 ZINC28817670 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362725 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C(F)(F)F)nc(nc12)-n1cc(CO)cn1 InChI=1S/C21H20F3N7O5/c22-21(23,24)11-1-3-12(4-2-11)27-17-14-18(29-20(28-17)31-6-10(7-32)5-26-31)30(9-25-14)19-16(35)15(34)13(8-33)36-19/h1-6,9,13,15-16,19,32-35H,7-8H2,(H,27,28,29)/t13-,15-,16-,19-/m1/s1 HOXSBAHBHXSZAI-NVQRDWNXSA-N 50196547 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(4-(trifluoromethyl)phenylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL392742 Adenosine receptor A1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196547&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430203 104078263 CHEMBL392742 ZINC28817680 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362727 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ncc4ccccc4n3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C22H21N9O5/c32-8-11-5-25-31(7-11)22-28-18(27-21-23-6-12-3-1-2-4-13(12)26-21)15-19(29-22)30(10-24-15)20-17(35)16(34)14(9-33)36-20/h1-7,10,14,16-17,20,32-35H,8-9H2,(H,23,26,27,28,29)/t14-,16-,17-,20-/m1/s1 JTJKCSSYQFNNON-WVSUBDOOSA-N 50196544 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(quinazolin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL429619 Adenosine receptor A1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196544&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430235 104078260 CHEMBL429619 ZINC28817738 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362728 CCCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C21H28N8O6/c1-2-5-22-19(33)11-7-24-29(8-11)21-26-17(25-13-4-3-6-34-13)14-18(27-21)28(10-23-14)20-16(32)15(31)12(9-30)35-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t12-,13-,15-,16-,20-/m1/s1 ZRLPTCCUBMDYAF-DBKKVMMFSA-N 50196570 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-N-propyl-1H-pyrazole-4-carboxamide::CHEMBL232313 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196570&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430160 104078286 CHEMBL232313 ZINC28817617 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362731 NC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C19H24N8O5/c20-15(31)9-5-22-27(6-9)19-24-16(23-10-3-1-2-4-10)12-17(25-19)26(8-21-12)18-14(30)13(29)11(7-28)32-18/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H2,20,31)(H,23,24,25)/t11-,13-,14-,18-/m1/s1 UFDQVJFJDZEQQW-XWXWGSFUSA-N 50196557 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxamide::CHEMBL232482 Adenosine receptor A1 Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196557&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11977967 104078273 CHEMBL232482 ZINC28817654 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362736 Cc1ccc(Nc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CO)cn2)cc1 InChI=1S/C21H23N7O5/c1-11-2-4-13(5-3-11)24-18-15-19(26-21(25-18)28-7-12(8-29)6-23-28)27(10-22-15)20-17(32)16(31)14(9-30)33-20/h2-7,10,14,16-17,20,29-32H,8-9H2,1H3,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 FFXMREHKIUCCAM-WVSUBDOOSA-N 50196551 (2R,3R,4S,5R)-2-(6-(p-toluidino)-2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL400013 Adenosine receptor A1 Homo sapiens 74 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196551&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430198 104078267 CHEMBL400013 ZINC28817677 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362740 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C25H27ClN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1 OHRYHPLEBPUQQU-BNCYDMKUSA-N 50196548 CHEMBL231881::N-(4-chlorobenzyl)-1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamide Adenosine receptor A1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196548&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430170 104078264 CHEMBL231881 ZINC28817636 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362743 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cnccn3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C18H19N9O5/c28-6-9-3-22-27(5-9)18-24-15(23-11-4-19-1-2-20-11)12-16(25-18)26(8-21-12)17-14(31)13(30)10(7-29)32-17/h1-5,8,10,13-14,17,28-31H,6-7H2,(H,20,23,24,25)/t10-,13-,14-,17-/m1/s1 QUYKWNNCIUPGEA-IWCJZZDYSA-N 50196538 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(pyrazin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL429073 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196538&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430232 104078254 CHEMBL429073 ZINC28817736 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362744 CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C23H29N7O6/c1-2-35-21(34)13-8-25-30(9-13)22-26-18(28-23-5-3-12(7-23)4-6-23)15-19(27-22)29(11-24-15)20-17(33)16(32)14(10-31)36-20/h8-9,11-12,14,16-17,20,31-33H,2-7,10H2,1H3,(H,26,27,28)/t12?,14-,16-,17-,20-,23?/m1/s1 FVGBWQOWJZDNIS-VIUNQPMXSA-N 50196566 CHEMBL234974::ethyl 1-(6-(bicyclo[2.2.1]heptan-1-ylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate Adenosine receptor A1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196566&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430187 104078282 CHEMBL234974 ZINC28817663 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362755 CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C20H26N8O6/c1-2-21-18(32)10-6-23-28(7-10)20-25-16(24-12-4-3-5-33-12)13-17(26-20)27(9-22-13)19-15(31)14(30)11(8-29)34-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t11-,12-,14-,15-,19-/m1/s1 DAAJKUPTRGODPS-FSVZYJJUSA-N 50196572 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL232100 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196572&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430158 104078288 CHEMBL232100 ZINC28817615 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362758 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccncc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C21H23N9O5/c1-2-23-19(34)11-7-25-30(8-11)21-27-17(26-12-3-5-22-6-4-12)14-18(28-21)29(10-24-14)20-16(33)15(32)13(9-31)35-20/h3-8,10,13,15-16,20,31-33H,2,9H2,1H3,(H,23,34)(H,22,26,27,28)/t13-,15-,16-,20-/m1/s1 VPMKGKFXDBVXCS-KHTYJDQRSA-N 50196539 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-(pyridin-4-ylamino)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL232310 Adenosine receptor A1 Homo sapiens 1060 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196539&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430237 104078255 CHEMBL232310 ZINC28817741 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362759 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-11-1-3-20-4-2-11)13-17(25-19)26(9-21-13)18-15(31)14(30)12(8-29)32-18/h1-6,9,12,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t12-,14-,15-,18-/m1/s1 PIOQPIHAFHAILU-SCFUHWHPSA-N 50196561 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(pyridin-4-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL399621 Adenosine receptor A1 Homo sapiens 134 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196561&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430209 104078277 CHEMBL399621 ZINC28817687 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362761 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc(C)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C23H26N8O5/c1-3-24-21(35)13-8-26-31(9-13)23-28-19(27-14-6-4-12(2)5-7-14)16-20(29-23)30(11-25-16)22-18(34)17(33)15(10-32)36-22/h4-9,11,15,17-18,22,32-34H,3,10H2,1-2H3,(H,24,35)(H,27,28,29)/t15-,17-,18-,22-/m1/s1 LYQNYMHCYLJLJU-UVLLPENVSA-N 50196558 1-(6-(p-toluidino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL232512 Adenosine receptor A1 Homo sapiens 121 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196558&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430239 104078274 CHEMBL232512 ZINC28817744 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50362702 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C23H22N8O5/c32-9-12-7-25-31(8-12)23-28-20(27-16-6-5-13-3-1-2-4-14(13)26-16)17-21(29-23)30(11-24-17)22-19(35)18(34)15(10-33)36-22/h1-8,11,15,18-19,22,32-35H,9-10H2,(H,26,27,28,29)/t15-,18-,19-,22-/m1/s1 SRIBBZYPMCZTHH-CIVUBGFFSA-N 50196571 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(quinolin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL232096 Adenosine receptor A1 Homo sapiens 39 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196571&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44430231 104078287 CHEMBL232096 ZINC28817735 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359741 COc1cccc(c1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F InChI=1S/C19H15F4N3O/c1-27-15-4-2-3-13(9-15)16-10-17(19(21,22)23)26-18(25-16)24-11-12-5-7-14(20)8-6-12/h2-10H,11H2,1H3,(H,24,25,26) MZTFCUSRGDDALU-UHFFFAOYSA-N 50194812 CHEMBL220287::N-(4-fluorobenzyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15987740 104077001 CHEMBL220287 ZINC04757753 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359744 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccccc2)cc1 InChI=1S/C18H13F4N3/c19-14-8-6-12(7-9-14)11-23-17-24-15(13-4-2-1-3-5-13)10-16(25-17)18(20,21)22/h1-10H,11H2,(H,23,24,25) SVNVSTDRFRAKND-UHFFFAOYSA-N 50194816 CHEMBL221219::N-(4-fluorobenzyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194816&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4412077 104077005 CHEMBL221219 ZINC00213184 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359746 Nc1nc(cc(-c2ccccc2Cl)c1C#N)-c1ccccc1 InChI=1S/C18H12ClN3/c19-16-9-5-4-8-13(16)14-10-17(12-6-2-1-3-7-12)22-18(21)15(14)11-20/h1-10H,(H2,21,22) DOTFDSKMEYTLRC-UHFFFAOYSA-N 50194817 2-amino-4-(2-chlorophenyl)-6-phenylnicotinonitrile::CHEMBL220684 Adenosine receptor A1 Homo sapiens 239 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194817&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 916396 104077006 CHEMBL220684 ZINC19707370 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359747 COc1ccc(cn1)-c1cccc(c1)-c1nc(N)nc(SC)n1 InChI=1S/C16H15N5OS/c1-22-13-7-6-12(9-18-13)10-4-3-5-11(8-10)14-19-15(17)21-16(20-14)23-2/h3-9H,1-2H3,(H2,17,19,20,21) ZEZVHWWBCFDUHN-UHFFFAOYSA-N 50194818 4-(3-(6-methoxypyridin-3-yl)phenyl)-6-(methylthio)-1,3,5-triazin-2-amine::CHEMBL426530 Adenosine receptor A1 Homo sapiens 840 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194818&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44420100 104077007 CHEMBL426530 ZINC36124132 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359748 Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1Cl InChI=1S/C18H11Cl2N3/c19-12-7-5-11(6-8-12)14-9-17(23-18(22)15(14)10-21)13-3-1-2-4-16(13)20/h1-9H,(H2,22,23) PPNTZGRFYNKJDB-UHFFFAOYSA-N 50194819 2-amino-6-(2-chlorophenyl)-4-(4-chlorophenyl)nicotinonitrile::CHEMBL375764 Adenosine receptor A1 Homo sapiens 1744 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194819&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3751417 104077008 CHEMBL375764 ZINC20389401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359750 Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1 InChI=1S/C18H12ClN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22) DTFPADSQKJTDTO-UHFFFAOYSA-N 50194823 2-amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile::CHEMBL223828 Adenosine receptor A1 Homo sapiens 192 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194823&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 711464 104077012 CHEMBL223828 ZINC20389414 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359752 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc1 InChI=1S/C16H11F4N3S/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23) PQDOHPTXMGWBDW-UHFFFAOYSA-N 50194813 CHEMBL221220::N-(4-fluorobenzyl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194813&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4382765 104077002 CHEMBL221220 ZINC03894542 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359753 CCOc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1 InChI=1S/C20H17N3O3/c1-2-26-19-9-13(5-8-18(19)25)15-10-17(23-20(22)16(15)11-21)12-3-6-14(24)7-4-12/h3-10,24-25H,2H2,1H3,(H2,22,23) IWPRRVSKUNQSTO-UHFFFAOYSA-N 50194821 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(4-hydroxyphenyl)nicotinonitrile::CHEMBL222201 Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194821&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5413153 104077010 CHEMBL222201 ZINC19095802 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359754 COc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1 InChI=1S/C19H15N3O3/c1-25-18-8-12(4-7-17(18)24)14-9-16(22-19(21)15(14)10-20)11-2-5-13(23)6-3-11/h2-9,23-24H,1H3,(H2,21,22) WQBPXJSWOBGZJK-UHFFFAOYSA-N 50194822 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)nicotinonitrile::CHEMBL375164 Adenosine receptor A1 Homo sapiens 94 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194822&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5413148 104077011 CHEMBL375164 ZINC13126436 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359755 Nc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1 InChI=1S/C18H12FN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22) BEDLZHWQNOIFFN-UHFFFAOYSA-N 50194814 2-amino-4-(4-fluorophenyl)-6-phenylnicotinonitrile::CHEMBL412622 Adenosine receptor A1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194814&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 917384 104077003 CHEMBL412622 ZINC19708593 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359760 Nc1nc(cc(-c2ccc(F)cc2)c1C#N)C1CC1 InChI=1S/C15H12FN3/c16-11-5-3-9(4-6-11)12-7-14(10-1-2-10)19-15(18)13(12)8-17/h3-7,10H,1-2H2,(H2,18,19) QPYANFLUOHWHOF-UHFFFAOYSA-N 50194825 2-amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrile::CHEMBL220118 Adenosine receptor A1 Homo sapiens 865 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194825&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 686655 104077014 CHEMBL220118 ZINC19708474 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359762 CSc1nc(N)nc(n1)-c1cccc(c1)-c1ccc2[nH]ccc2c1 InChI=1S/C18H15N5S/c1-24-18-22-16(21-17(19)23-18)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-20-15/h2-10,20H,1H3,(H2,19,21,22,23) LXETVWABBHSXHN-UHFFFAOYSA-N 50194824 4-(3-(1H-indol-5-yl)phenyl)-6-(methylthio)-1,3,5-triazin-2-amine::CHEMBL373827 Adenosine receptor A1 Homo sapiens 218 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194824&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44420101 104077013 CHEMBL373827 ZINC36124135 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359763 CCSc1nc(N)nc(n1)-c1ccccc1 InChI=1S/C11H12N4S/c1-2-16-11-14-9(13-10(12)15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15) UMHVGNHYSDRNNN-UHFFFAOYSA-N 50194815 4-(ethylthio)-6-phenyl-1,3,5-triazin-2-amine::CHEMBL220445 Adenosine receptor A1 Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194815&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44420099 104077004 CHEMBL220445 ZINC36124130 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359767 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1 InChI=1S/C18H12ClF4N3/c19-13-5-3-12(4-6-13)15-9-16(18(21,22)23)26-17(25-15)24-10-11-1-7-14(20)8-2-11/h1-9H,10H2,(H,24,25,26) ZXRJQUVTVUVZRP-UHFFFAOYSA-N 50194827 CHEMBL374236::N-(4-fluorobenzyl)-4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194827&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15987727 104077016 CHEMBL374236 ZINC04757711 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359768 Cc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccccc1 InChI=1S/C19H15N3/c1-13-7-9-14(10-8-13)16-11-18(15-5-3-2-4-6-15)22-19(21)17(16)12-20/h2-11H,1H3,(H2,21,22) ADSZRHDJWBZORK-UHFFFAOYSA-N 50194811 2-amino-6-phenyl-4-p-tolylnicotinonitrile::CHEMBL376920 Adenosine receptor A1 Homo sapiens 274 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194811&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 695136 104077000 CHEMBL376920 ZINC19818501 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50359770 Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1cccnc1 InChI=1S/C17H10Cl2N4/c18-14-4-3-10(6-15(14)19)12-7-16(11-2-1-5-22-9-11)23-17(21)13(12)8-20/h1-7,9H,(H2,21,23) GYJDRNKSYOJANZ-UHFFFAOYSA-N 50194820 2-amino-4-(3,4-dichlorophenyl)-6-(pyridin-3-yl)nicotinonitrile::CHEMBL448781 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194820&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4480217 104077009 CHEMBL448781 ZINC34943630 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50351129 COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25) AJAKSDKKOWTRGD-UHFFFAOYSA-N 50189811 CHEMBL210642::N-(6-amino-2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide Adenosine receptor A1 Homo sapiens 2700 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189811&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11595710 104073308 CHEMBL210642 ZINC34800776 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50351135 CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23) JDAOAIAUVIWPFE-UHFFFAOYSA-N 50086146 CHEMBL16305::N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-acetamide::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide Adenosine receptor A1 Homo sapiens 2000 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086146&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10734376 103985538 CHEMBL16305 ZINC13672090 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50351140 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50351144 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1 InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35) LIKNBEXRGCISBC-UHFFFAOYSA-N 50189810 CHEMBL209927::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide Adenosine receptor A1 Homo sapiens 18.8 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189810&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11641365 104073307 CHEMBL209927 ZINC34800775 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50351160 Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21 InChI=1S/C22H16N6O2/c23-16-12-7-13-17-18(16)24-19(25-21(29)14-8-3-1-4-9-14)20-26-28(22(30)27(17)20)15-10-5-2-6-11-15/h1-13H,23H2,(H,24,25,29) UNGYPXFMYYJLOR-UHFFFAOYSA-N 50189819 6-amino-4-benzamido-1,2-dihydro-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-1-one::CHEMBL211183 Adenosine receptor A1 Homo sapiens 98 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189819&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11531355 104073316 CHEMBL211183 ZINC34800791 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50351163 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A1 Homo sapiens 6200 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50351172 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28) HTBRQSCIUVUCRL-UHFFFAOYSA-N 50086159 CHEMBL16488::N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-benzamide::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzamide Adenosine receptor A1 Homo sapiens 87.8 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086159&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10619822 103985551 CHEMBL16488 ZINC13806267 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352263 O=C(Nc1cccnc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C25H21N9O3/c35-25(27-18-8-4-10-26-14-18)30-24-29-21-19(23-28-22(32-34(23)24)20-9-5-12-37-20)15-33(31-21)11-13-36-16-17-6-2-1-3-7-17/h1-10,12,14-15H,11,13,16H2,(H2,27,29,30,31,35) FDIOKJLMNKSHOJ-UHFFFAOYSA-N 50190434 1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-3-yl-urea::CHEMBL209479 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190434&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11684672 104073737 CHEMBL209479 ZINC34800793 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352264 OCCn1cc2c(n1)nc(NC(=O)Nc1cccnc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H15N9O3/c28-7-6-26-10-12-14(24-26)22-17(23-18(29)20-11-3-1-5-19-9-11)27-16(12)21-15(25-27)13-4-2-8-30-13/h1-5,8-10,28H,6-7H2,(H2,20,22,23,24,29) FJAUCAZBRUCCMC-UHFFFAOYSA-N 50190439 1-[2-furan-2-yl-8-(2-hydroxy-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-3-yl-urea::CHEMBL212268 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190439&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11517013 104073742 CHEMBL212268 ZINC34800806 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352267 O=C(Nc1ccncc1)Nc1nc2nn(CCCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C26H23N9O3/c36-26(28-19-9-11-27-12-10-19)31-25-30-22-20(24-29-23(33-35(24)25)21-8-4-15-38-21)16-34(32-22)13-5-14-37-17-18-6-2-1-3-7-18/h1-4,6-12,15-16H,5,13-14,17H2,(H2,27,28,30,31,32,36) XHQMRBIQONBIFX-UHFFFAOYSA-N 50190433 5-[[(4-pyridyl)amino]carbonyl]amino-[8-(3-benzyloxypropyl)-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL208686 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190433&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11511804 104073736 CHEMBL208686 ZINC34800777 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349112 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2F)c1 InChI=1S/C21H22ClFN6O2/c1-3-8-28-19-17(20(30)29(9-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-6-5-7-15(22)16(13)23/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,26) GIBLVHBJGYMTSZ-UHFFFAOYSA-N 50188542 8-(1-(3-chloro-2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210213 Adenosine receptor A1 Homo sapiens 530 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188542&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11503200 104072329 CHEMBL210213 ZINC36124071 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349114 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(OC)c2)c1 InChI=1S/C22H26N6O3/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-7-6-8-17(11-15)31-3/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25) RUBSVJWXHRWCSY-UHFFFAOYSA-N 50188543 8-(1-(3-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210150 Adenosine receptor A1 Homo sapiens 34 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188543&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11524637 104072330 CHEMBL210150 ZINC36124068 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349115 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A1 Homo sapiens 6920 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349117 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 0.9 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349121 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C23H27FN6O2/c1-14(2)10-29-21-19(22(31)30(23(29)32)11-15(3)4)26-20(27-21)17-9-25-28(13-17)12-16-6-5-7-18(24)8-16/h5-9,13-15H,10-12H2,1-4H3,(H,26,27) JFDKUGGNCNTTKG-UHFFFAOYSA-N 50188549 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diisobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL378743 Adenosine receptor A1 Homo sapiens 830 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188549&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11655061 104072336 CHEMBL378743 ZINC36124075 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352304 O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C25H21N9O3/c35-25(27-18-8-10-26-11-9-18)30-24-29-21-19(23-28-22(32-34(23)24)20-7-4-13-37-20)15-33(31-21)12-14-36-16-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H2,26,27,29,30,31,35) KEOFEPBQPNRHDK-UHFFFAOYSA-N 50190443 1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-4-yl-urea::CHEMBL377248 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190443&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11555032 104073746 CHEMBL377248 ZINC34800796 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352311 OCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H15N9O3/c28-8-7-26-10-12-14(24-26)22-17(23-18(29)20-11-3-5-19-6-4-11)27-16(12)21-15(25-27)13-2-1-9-30-13/h1-6,9-10,28H,7-8H2,(H2,19,20,22,23,24,29) JNAFDYCCZRUJGX-UHFFFAOYSA-N 50190437 1-[2-furan-2-yl-8-(2-hydroxy-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-4-yl-urea::CHEMBL211841 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190437&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11524264 104073740 CHEMBL211841 ZINC34800794 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352329 OCCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H17N9O3/c29-9-2-8-27-11-13-15(25-27)23-18(24-19(30)21-12-4-6-20-7-5-12)28-17(13)22-16(26-28)14-3-1-10-31-14/h1,3-7,10-11,29H,2,8-9H2,(H2,20,21,23,24,25,30) GFZYPXHAEKVIKQ-UHFFFAOYSA-N 50190451 1-[2-furan-2-yl-8-(3-hydroxy-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-4-yl-urea::CHEMBL211341 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190451&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11711438 104073754 CHEMBL211341 ZINC34636292 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349124 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C23H28N6O2/c1-15(2)11-28-21-19(22(30)29(23(28)31)12-16(3)4)25-20(26-21)18-10-24-27(14-18)13-17-8-6-5-7-9-17/h5-10,14-16H,11-13H2,1-4H3,(H,25,26) RGGJMTLJEXSCMP-UHFFFAOYSA-N 50188550 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diisobutyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL441530 Adenosine receptor A1 Homo sapiens 620 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11582537 104072337 CHEMBL441530 ZINC35860822 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349125 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(Cl)ccc2Cl)c1 InChI=1S/C21H22Cl2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-9-15(22)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26) ZTLBDXCSPFQWAK-UHFFFAOYSA-N 50188551 8-(1-(2,5-dichlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1Hpurine-2,6(3H,7H)-dione::CHEMBL209174 Adenosine receptor A1 Homo sapiens 190 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188551&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11532717 104072338 CHEMBL209174 ZINC36124063 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349127 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2OC)c1 InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-8-6-7-9-17(15)31-3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25) BXQRCUSBUDNKKE-UHFFFAOYSA-N 50188545 8-(1-(2-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL380219 Adenosine receptor A1 Homo sapiens 59 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188545&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11582578 104072332 CHEMBL380219 ZINC35860913 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349133 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1 InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-5-7-16(8-6-14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28) HKRQXRVFKQBLQK-UHFFFAOYSA-N 50188548 8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL207434 Adenosine receptor A1 Homo sapiens 41 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188548&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11547107 104072335 CHEMBL207434 ZINC34662430 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349142 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1 InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18) FJOWCRNUYDSBQY-UHFFFAOYSA-N 50188562 1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL380176 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188562&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9839378 104072347 CHEMBL380176 ZINC33980832 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349156 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C)c1 InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-9-7-6-8-15(16)3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25) CURJJPJNMIVODA-UHFFFAOYSA-N 50188546 8-(1-(2-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210747 Adenosine receptor A1 Homo sapiens 22 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188546&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11495161 104072333 CHEMBL210747 ZINC36124066 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349161 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCCc2ccccc2)c1 InChI=1S/C23H28N6O2/c1-3-12-28-21-19(22(30)29(13-4-2)23(28)31)25-20(26-21)18-15-24-27(16-18)14-8-11-17-9-6-5-7-10-17/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,25,26) VPXWPRCQVKGDRF-UHFFFAOYSA-N 50188566 8-(1-(3-phenylpropyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210319 Adenosine receptor A1 Homo sapiens 77 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188566&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11618633 104072351 CHEMBL210319 ZINC35943565 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349163 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24) IWZAITCKZZQXCV-UHFFFAOYSA-N 50233081 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL254725 Adenosine receptor A1 Homo sapiens 76 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233081&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9821879 104055647 CHEMBL254725 ZINC29037241 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349165 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1 InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25) YOLKEFKOWBQNMM-UHFFFAOYSA-N 50188559 8-(1-(4-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL380284 Adenosine receptor A1 Homo sapiens 7 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188559&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11582697 104072345 CHEMBL380284 ZINC35861146 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349167 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2F)c1 InChI=1S/C22H25FN6O2/c1-4-9-28-20-18(21(30)29(10-5-2)22(28)31)25-19(26-20)16-11-24-27(13-16)12-15-8-6-7-14(3)17(15)23/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,25,26) OPFGSHJNMXTVDA-UHFFFAOYSA-N 50188565 8-(1-(2-fluoro-3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210609 Adenosine receptor A1 Homo sapiens 390 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188565&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11611580 104072350 CHEMBL210609 ZINC35933662 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349171 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)-c1ccccc1 InChI=1S/C20H22N6O2/c1-3-10-24-18-16(19(27)25(11-4-2)20(24)28)22-17(23-18)14-12-21-26(13-14)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23) XHAWSVGLZHETMF-UHFFFAOYSA-N 50188560 8-(1-phenyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL209831 Adenosine receptor A1 Homo sapiens 770 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188560&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11545341 104072346 CHEMBL209831 ZINC34660325 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349172 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)c(F)c2)c1 InChI=1S/C21H22F2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-5-6-15(22)16(23)9-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26) PFFIRNYRICYMOH-UHFFFAOYSA-N 50188574 8-(1-(3,4-difluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1Hpurine-2,6(3H,7H)-dione::CHEMBL210212 Adenosine receptor A1 Homo sapiens 170 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188574&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11647607 104072359 CHEMBL210212 ZINC35997817 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349174 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(C)cc2)c1 InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-15(3)7-9-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25) FHTHVMUNIOLZFP-UHFFFAOYSA-N 50188573 8-(1-(4-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL207524 Adenosine receptor A1 Homo sapiens 38 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188573&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11596614 104072358 CHEMBL207524 ZINC35901389 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349175 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23) FBGQLIIOHSZUSW-UHFFFAOYSA-N 50188547 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL426504 Adenosine receptor A1 Homo sapiens 380 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188547&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11610638 104072334 CHEMBL426504 ZINC29056337 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349178 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22) GBLDSVSFGPIOEY-UHFFFAOYSA-N 50188553 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210271 Adenosine receptor A1 Homo sapiens 580 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188553&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11588630 104072340 CHEMBL210271 ZINC35876813 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349188 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(OC)cc2)c1 InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-6-8-17(31-3)9-7-15/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25) NKPLNJOYETWKDI-UHFFFAOYSA-N 50188576 8-(1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210683 Adenosine receptor A1 Homo sapiens 70 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188576&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11633189 104072361 CHEMBL210683 ZINC35969456 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349191 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C17H16N6O2/c1-21-15-13(16(24)22(2)17(21)25)19-14(20-15)12-8-18-23(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20) MCZMFSIUZOSVRA-UHFFFAOYSA-N 50188572 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL437301 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188572&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11493754 104072357 CHEMBL437301 ZINC36176564 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349192 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2)c1 InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25) XTKLYAIJKXTSJD-UHFFFAOYSA-N 50188579 8-(1-(4-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL379474 Adenosine receptor A1 Homo sapiens 23 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188579&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11654461 104072364 CHEMBL379474 ZINC36124056 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349193 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) NJXVKVMVLZPERB-UHFFFAOYSA-N 50233076 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251869 Adenosine receptor A1 Homo sapiens 170 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233076&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11654460 104055642 CHEMBL251869 ZINC29037253 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349198 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33) CHXXPRACCKMCBL-UHFFFAOYSA-N 50229886 2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]-acetamide::2-(3,4-dimethoxyphenyl)-N-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl)acetamide::CHEMBL408186 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229886&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10128387 104098217 CHEMBL408186 ZINC13559731 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349202 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1 InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25) IFKRZKUTYVNSLN-UHFFFAOYSA-N 50188558 8-(1-(2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210649 Adenosine receptor A1 Homo sapiens 19 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188558&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11589625 104072344 CHEMBL210649 ZINC35878945 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349205 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1 InChI=1S/C22H26N6O2/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-7-15(3)11-16/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25) ZGEGHWWAMJAODB-UHFFFAOYSA-N 50188575 8-(1-(3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL378570 Adenosine receptor A1 Homo sapiens 48 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188575&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11560510 104072360 CHEMBL378570 ZINC35817178 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349207 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1 InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29) QUPSOSYMAZFQHU-UHFFFAOYSA-N 50188569 8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL378598 Adenosine receptor A1 Homo sapiens 1200 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188569&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9870396 104072354 CHEMBL378598 ZINC34001287 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349208 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 400 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349209 CCCn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) SIQPXVQCUCHWDI-UHFFFAOYSA-N 50001493 3-Propyl-3,7-dihydro-purine-2,6-dione::3-Propyl-3,7-dihydro-purine-2,6-dione(enprofylline)::3-Propylxanthine (enprofylline)::CHEMBL279898::ENPROFYLLINE Adenosine receptor A1 Homo sapiens 42000 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001493&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1676 103915958 126237 CHEMBL279898 DB00824 ZINC00403567 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349213 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2Cl)c1 InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25) ARWUBYOBJLESLG-UHFFFAOYSA-N 50188552 8-(1-(2-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL378652 Adenosine receptor A1 Homo sapiens 59 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188552&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11495611 104072339 CHEMBL378652 ZINC36124083 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349216 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCc2ccccc2)c1 InChI=1S/C22H26N6O2/c1-3-11-27-20-18(21(29)28(12-4-2)22(27)30)24-19(25-20)17-14-23-26(15-17)13-10-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,25) KIQOQKNHDYBUDJ-UHFFFAOYSA-N 50188544 8-(1-phenethyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL209217 Adenosine receptor A1 Homo sapiens 17 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188544&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11711190 104072331 CHEMBL209217 ZINC34636020 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349221 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1 InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-7-5-6-8-16(14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28) BVUSWIYHJIKWTL-UHFFFAOYSA-N 50188585 8-(1-(2-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL208110 Adenosine receptor A1 Homo sapiens 44 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188585&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11612320 104072369 CHEMBL208110 ZINC35935128 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349226 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C24H27F3N6O2/c1-14(2)10-32-21-19(22(34)33(23(32)35)11-15(3)4)29-20(30-21)17-9-28-31(13-17)12-16-6-5-7-18(8-16)24(25,26)27/h5-9,13-15H,10-12H2,1-4H3,(H,29,30) PTIXDWKOEDXQSV-UHFFFAOYSA-N 50188555 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-diisobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL208920 Adenosine receptor A1 Homo sapiens 3100 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188555&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11533237 104072342 CHEMBL208920 ZINC36124088 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349228 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C23H28N6O2/c1-3-5-12-28-21-19(22(30)29(23(28)31)13-6-4-2)25-20(26-21)18-14-24-27(16-18)15-17-10-8-7-9-11-17/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,25,26) KTFZMFONLBKWAM-UHFFFAOYSA-N 50188564 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dibutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL383201 Adenosine receptor A1 Homo sapiens 1400 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188564&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11524593 104072349 CHEMBL383201 ZINC36124060 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349231 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28) IDMQLXNSDSLNNR-UHFFFAOYSA-N 50233082 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251870 Adenosine receptor A1 Homo sapiens 170 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233082&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9890439 104055648 CHEMBL251870 ZINC29037255 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349232 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2)c1 InChI=1S/C21H23ClN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) BHVNIIMPUODVIW-UHFFFAOYSA-N 50188570 8-(1-(3-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210938 Adenosine receptor A1 Homo sapiens 31 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188570&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11575498 104072355 CHEMBL210938 ZINC35849197 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349247 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C17H15FN6O2/c1-22-15-13(16(25)23(2)17(22)26)20-14(21-15)11-7-19-24(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,8H2,1-2H3,(H,20,21) HDWMDKHMNFXXDV-UHFFFAOYSA-N 50236760 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL261722 Adenosine receptor A1 Homo sapiens 460 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50236760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50236760&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11544894 104056368 CHEMBL261722 ZINC29056332 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349253 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26) PJJLCMDBCYNWAQ-UHFFFAOYSA-N 50188583 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210808 Adenosine receptor A1 Homo sapiens 570 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188583&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11690561 104072367 CHEMBL210808 ZINC29056243 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50349254 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C18H15F3N6O2/c1-25-15-13(16(28)26(2)17(25)29)23-14(24-15)11-7-22-27(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,8H2,1-2H3,(H,23,24) BXOBNALLJPAQHL-UHFFFAOYSA-N 50188578 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL208824 Adenosine receptor A1 Homo sapiens 990 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188578&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9822488 104072363 CHEMBL208824 ZINC08560063 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50347307 C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21 InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25) VUYDJBYOJKYWBY-UHFFFAOYSA-N 50011596 (2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phenyl-amine::CHEMBL442333::N-phenyl-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A1 Homo sapiens 3420 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011596&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10426659 103924128 CHEMBL442333 ZINC13821062 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50347309 COc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) YJOOJLDFTONSNI-UHFFFAOYSA-N 50187669 CHEMBL207208::N-(4-methoxy-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A1 Homo sapiens 4170 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187669&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11602914 104071534 CHEMBL207208 ZINC13704508 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50347312 Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26) ULXQEAQZAZBLPR-UHFFFAOYSA-N 50187671 CHEMBL378047::N-(4-chloro-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187671&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11639150 104071536 CHEMBL378047 ZINC13704517 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50347314 Cc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) FHLIAQGQHFKJLO-UHFFFAOYSA-N 50187670 CHEMBL210380::N-(4-methyl-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A1 Homo sapiens 3850 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187670&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11530256 104071535 CHEMBL210380 ZINC13704504 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50347315 Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1Cl InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27) SYNRBWNXNMPXNT-UHFFFAOYSA-N 50187672 CHEMBL207209::N-(3,4-dichloro-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187672&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11553016 104071537 CHEMBL207209 ZINC13704513 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50352700 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 InChI=1S/C21H21N5O4S/c1-25-19-17(20(27)26(2)21(25)28)23-18(24-19)15-8-10-16(11-9-15)31(29,30)22-13-12-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3,(H,23,24) BQORHOPXTSANCX-UHFFFAOYSA-N 50190699 8-[4-(phenylethylamidosulfonyl)phenyl]-1,3-dimethylxanthine::CHEMBL210585 Adenosine receptor A1 Homo sapiens 185 ChEMBL 10.1021/jm060277v 10.7270/Q2DV1JHP 16821798 Yan, L; Bertarelli, DC; Hayallah, AM; Meyer, H; Klotz, KN; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190699&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11568359 104073909 CHEMBL210585 ZINC34800773 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50374976 CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25) PPFWSQNEFCXMGP-UHFFFAOYSA-N 50205280 2,6-diphenyl-8-isobutyl-1-deazapurine::CHEMBL221486::LUF-5978 Adenosine receptor A1 Homo sapiens 0.55 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205280&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44418996 104083679 CHEMBL221486 ZINC34800843 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50374978 O=c1[nH]c2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C18H13N3O/c22-18-20-16-14(12-7-3-1-4-8-12)11-15(19-17(16)21-18)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21,22) SHTZPAWLYJASHR-UHFFFAOYSA-N 50205282 5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol::CHEMBL374938 Adenosine receptor A1 Homo sapiens 8.6 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205282&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11150373 104083681 CHEMBL374938 ZINC34800847 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50374980 C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27) DXBBMCIVYYJMJC-UHFFFAOYSA-N 50205283 2,6-diphenyl-8-cyclohexyl-1-deazapurine::CHEMBL219160::LUF-5981 Adenosine receptor A1 Homo sapiens 1700 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205283&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109435 104083682 CHEMBL219160 5607 ZINC34800848 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50374981 CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C23H23N3/c1-3-16(4-2)22-25-21-19(17-11-7-5-8-12-17)15-20(24-23(21)26-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,24,25,26) GPQRSDCKVYJMOH-UHFFFAOYSA-N 50205285 2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine::CHEMBL385109 Adenosine receptor A1 Homo sapiens 0.87 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205285&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109429 104083684 CHEMBL385109 ZINC34800844 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50374982 CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24) REXYMDQLBZWOMA-UHFFFAOYSA-N 50205281 2,6-diphenyl-8-isopropyl-1-deazapurine::CHEMBL221343::LUF-5980 Adenosine receptor A1 Homo sapiens 0.61 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205281&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109428 104083680 CHEMBL221343 ZINC28603975 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50374985 CCc1nc2nc(C)cc(C)c2[nH]1 InChI=1S/C10H13N3/c1-4-8-12-9-6(2)5-7(3)11-10(9)13-8/h5H,4H2,1-3H3,(H,11,12,13) XWWJWZJOSWSJQV-UHFFFAOYSA-N 50205288 2,6-dimethyl-8-ethyl-1-deazapurine::CHEMBL221579 Adenosine receptor A1 Homo sapiens 101 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205288&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9815374 104083687 CHEMBL221579 ZINC22058897 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50374987 c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C18H13N3/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-18-17(15)19-12-20-18/h1-12H,(H,19,20,21) JRQCVLBKLGJDMI-UHFFFAOYSA-N 50205279 2,6-diphenyl-1-deazapurine::CHEMBL220535 Adenosine receptor A1 Homo sapiens 1.2 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205279&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109423 104083678 CHEMBL220535 ZINC34800849 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50374996 CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H19N3/c1-2-9-19-23-20-17(15-10-5-3-6-11-15)14-18(22-21(20)24-19)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,22,23,24) DBBRCPJIWFJBPI-UHFFFAOYSA-N 50205290 2,6-dphenyl-8-propyl-1-deazapurine::CHEMBL376648 Adenosine receptor A1 Homo sapiens 2.5 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205290&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109427 104083689 CHEMBL376648 ZINC28603974 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50374999 CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H17N3/c1-2-18-22-19-16(14-9-5-3-6-10-14)13-17(21-20(19)23-18)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,22,23) PMDYRFYZMJGDQY-UHFFFAOYSA-N 50205284 2,6-diphenyl-8-ethyl-1-deazapurine::CHEMBL222130 Adenosine receptor A1 Homo sapiens 2.4 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205284&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109432 104083683 CHEMBL222130 ZINC28603972 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50375003 C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27) DXBBMCIVYYJMJC-UHFFFAOYSA-N 50205283 2,6-diphenyl-8-cyclohexyl-1-deazapurine::CHEMBL219160::LUF-5981 Adenosine receptor A1 Homo sapiens 0.9 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205283&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109435 104083682 CHEMBL219160 5607 ZINC34800848 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50375004 Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C19H15N3/c1-13-20-18-16(14-8-4-2-5-9-14)12-17(22-19(18)21-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21,22) HKDKOLLILMBGNN-UHFFFAOYSA-N 50205287 2,6-diphenyl-8-methyl-1-deazapurine::CHEMBL220587 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205287&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109426 104083686 CHEMBL220587 ZINC28603964 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50375011 C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26) LEUPSQCQJOFTFI-UHFFFAOYSA-N 50205286 8-cyclopentyl-2,6-diphenyl-1-deazapurin::CHEMBL219625::LUF-5816 Adenosine receptor A1 Homo sapiens 0.62 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205286&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109430 104083685 CHEMBL219625 ZINC34800846 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50375012 CC(C)(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H21N3/c1-22(2,3)21-24-19-17(15-10-6-4-7-11-15)14-18(23-20(19)25-21)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,23,24,25) LYZUCUIUVUYBJL-UHFFFAOYSA-N 50205289 2,6-diphenyl-8-tButyl-1-deazapurine::CHEMBL220053 Adenosine receptor A1 Homo sapiens 5.5 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205289&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16109434 104083688 CHEMBL220053 ZINC34800845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365896 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(O)=O InChI=1S/C22H31N5O5/c1-3-11-26-16-15(17(30)27(12-4-2)20(26)32)24-18(25-16)21-5-8-22(9-6-21,10-7-21)19(31)23-13-14(28)29/h3-13H2,1-2H3,(H,23,31)(H,24,25)(H,28,29)/t21-,22+ CSJZKKRAYVYQCY-SZPZYZBQSA-N 50199273 CHEMBL386777::{[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-amino}-acetic acid Adenosine receptor A1 Homo sapiens 49 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199273&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9911385 104079929 CHEMBL386777 ZINC36124127 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365899 CCCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O InChI=1S/C22H35N5O3/c1-4-7-12-23-20(28)16-10-8-15(9-11-16)18-24-17-19(25-18)26(13-5-2)22(30)27(14-6-3)21(17)29/h15-16H,4-14H2,1-3H3,(H,23,28)(H,24,25)/t15-,16- VNIAELPLZNPYDE-WKILWMFISA-N 50199271 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid butylamide::CHEMBL217085 Adenosine receptor A1 Homo sapiens 46 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199271&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995555 104079927 CHEMBL217085 ZINC36124121 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365902 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)N1CCC(CC1)C(O)=O InChI=1S/C26H37N5O5/c1-3-13-30-19-18(20(32)31(14-4-2)24(30)36)27-22(28-19)25-7-10-26(11-8-25,12-9-25)23(35)29-15-5-17(6-16-29)21(33)34/h17H,3-16H2,1-2H3,(H,27,28)(H,33,34)/t25-,26+ RZGMWSOSODPDDA-WMPKNSHKSA-N 50199275 1-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-piperidine-4-carboxylic acid::CHEMBL385856 Adenosine receptor A1 Homo sapiens 96 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199275&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995650 104079931 CHEMBL385856 ZINC36124109 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365904 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](COCc2ccccc2)CC1 InChI=1S/C25H34N4O3/c1-3-14-28-23-21(24(30)29(15-4-2)25(28)31)26-22(27-23)20-12-10-19(11-13-20)17-32-16-18-8-6-5-7-9-18/h5-9,19-20H,3-4,10-17H2,1-2H3,(H,26,27)/t19-,20- LIHIDLZRLXNKCU-MXVIHJGJSA-N 50199277 8-(4-benzyloxymethyl-cyclohexyl)-1,3-dipropyl-3,7-dihydropurine-2,6-dione::CHEMBL214228 Adenosine receptor A1 Homo sapiens 171 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199277&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995348 104079933 CHEMBL214228 ZINC36124102 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365905 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCN(C)C InChI=1S/C24H38N6O3/c1-5-14-29-18-17(19(31)30(15-6-2)22(29)33)26-20(27-18)23-7-10-24(11-8-23,12-9-23)21(32)25-13-16-28(3)4/h5-16H2,1-4H3,(H,25,32)(H,26,27)/t23-,24+ VUNOGVXKRYEQTC-PSWAGMNNSA-N 50199272 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic Acid (2-dimethylamino-ethyl)-amide::CHEMBL217541 Adenosine receptor A1 Homo sapiens 6 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199272&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995353 104079928 CHEMBL217541 ZINC36124111 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365907 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CO)CC1 InChI=1S/C18H28N4O3/c1-3-9-21-16-14(17(24)22(10-4-2)18(21)25)19-15(20-16)13-7-5-12(11-23)6-8-13/h12-13,23H,3-11H2,1-2H3,(H,19,20)/t12-,13- HHQNZNMFDUUTOQ-JOCQHMNTSA-N 50199278 8-(4-hydroxymethyl-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL384139 Adenosine receptor A1 Homo sapiens 41 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199278&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995554 104079934 CHEMBL384139 ZINC36124099 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365909 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCC(O)=O)(CC1)CC2 InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)/t21-,22- ZWTVVWUOTJRXKM-HZCBDIJESA-N 50199269 3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-propionic acid::CHEMBL386974 Adenosine receptor A1 Homo sapiens 7.4 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199269&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 216466 104079925 CHEMBL386974 5605 ZINC00603777 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365910 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(=O)OC InChI=1S/C23H33N5O5/c1-4-12-27-17-16(18(30)28(13-5-2)21(27)32)25-19(26-17)22-6-9-23(10-7-22,11-8-22)20(31)24-14-15(29)33-3/h4-14H2,1-3H3,(H,24,31)(H,25,26)/t22-,23+ ZAPNHSIRIXRZCP-ZRZAMGCNSA-N 50199280 CHEMBL424908::{[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-amino}-acetic acid methyl ester Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199280&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995557 104079936 CHEMBL424908 ZINC34800820 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365916 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCCC(O)=O)(CC1)CC2 InChI=1S/C23H34N4O4/c1-3-14-26-18-17(19(30)27(15-4-2)21(26)31)24-20(25-18)23-11-8-22(9-12-23,10-13-23)7-5-6-16(28)29/h3-15H2,1-2H3,(H,24,25)(H,28,29)/t22-,23- BGGPFCJYYBWGTM-YHBQERECSA-N 50199276 4-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-butyric acid::CHEMBL264070 Adenosine receptor A1 Homo sapiens 29 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199276&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9954406 104079932 CHEMBL264070 ZINC34047093 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365919 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1 InChI=1S/C25H33N5O4/c1-3-14-29-22-20(23(31)30(15-4-2)25(29)33)27-21(28-22)18-10-12-19(13-11-18)26-24(32)34-16-17-8-6-5-7-9-17/h5-9,18-19H,3-4,10-16H2,1-2H3,(H,26,32)(H,27,28)/t18-,19- GNKVWLPYAHCCPN-WGSAOQKQSA-N 50199279 CHEMBL274199::trans-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexyl]-carbamic acid benzyl ester Adenosine receptor A1 Homo sapiens 109 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199279&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995351 104079935 CHEMBL274199 ZINC36124113 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365921 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)\C=C\C(O)=O InChI=1S/C22H30N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h5-6H,3-4,7-14H2,1-2H3,(H,23,24)(H,27,28)/b6-5+/t21-,22- VPQZQQILWCCMPS-UYGKQXMSSA-N 50199268 (E)-3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-acrylic acid::CHEMBL217076 Adenosine receptor A1 Homo sapiens 9.6 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199268&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9844693 104079924 CHEMBL217076 ZINC33988656 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365922 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@]12CC[C@](CO)(CC1)CC2 InChI=1S/C20H30N4O3/c1-3-11-23-15-14(16(26)24(12-4-2)18(23)27)21-17(22-15)20-8-5-19(13-25,6-9-20)7-10-20/h25H,3-13H2,1-2H3,(H,21,22)/t19-,20+ VXNGWYZIFXWTDN-BGYRXZFFSA-N 50199281 8-(4-hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL438827 Adenosine receptor A1 Homo sapiens 16 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199281&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995651 104079937 CHEMBL438827 ZINC36124119 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365925 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(O)=O InChI=1S/C20H28N4O4/c1-3-11-23-14-13(15(25)24(12-4-2)18(23)28)21-16(22-14)19-5-8-20(9-6-19,10-7-19)17(26)27/h3-12H2,1-2H3,(H,21,22)(H,26,27)/t19-,20+ ULGKOBWVPCWKOE-BGYRXZFFSA-N 50199284 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid::CHEMBL217179 Adenosine receptor A1 Homo sapiens 33 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199284&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9886589 104079940 CHEMBL217179 ZINC34009937 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365931 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)OC InChI=1S/C21H30N4O4/c1-4-12-24-15-14(16(26)25(13-5-2)19(24)28)22-17(23-15)20-6-9-21(10-7-20,11-8-20)18(27)29-3/h4-13H2,1-3H3,(H,22,23)/t20-,21+ UOSPNRSEBOMLKH-OYRHEFFESA-N 50199285 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester::CHEMBL438823 Adenosine receptor A1 Homo sapiens 9 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199285&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9844060 104079941 CHEMBL438823 ZINC33988024 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365934 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CC3CC(CC3C1)C2 InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-9-12-7-13(10-20)14(8-12)11-20/h12-14H,3-11H2,1-2H3,(H,21,22) IDHJABAMUQNMKF-UHFFFAOYSA-N 50199274 3-noradamantyl-1,3-dipropylxanthine::CHEMBL385372 Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199274&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44417669 104079930 CHEMBL385372 ZINC38149751 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365936 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)C(=O)NCCN(C)C InChI=1S/C22H36N6O3/c1-5-12-27-19-17(21(30)28(13-6-2)22(27)31)24-18(25-19)15-7-9-16(10-8-15)20(29)23-11-14-26(3)4/h15-16H,5-14H2,1-4H3,(H,23,29)(H,24,25)/t15-,16- TXELAPVVYAWXKZ-WKILWMFISA-N 50199283 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid (2-dimethylamino-ethyl)-amide::CHEMBL387440 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199283&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995349 104079939 CHEMBL387440 ZINC36124117 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365948 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2C[C@@H]1[C@H]1O[C@@H]21 InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)/t9?,10-,11-,13-,14+/m0/s1 OQCJPFYWFGUHIN-KAELQNTISA-N 50199270 1,3-dipropyl-8-[2-(5,6-exo-epoxy-(1S,2S)-norborn-2-yl)]-xanthine::CHEMBL216750 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199270&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44417680 104079926 CHEMBL216750 ZINC05114733 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365950 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCC(=O)OC InChI=1S/C24H35N5O5/c1-4-14-28-18-17(19(31)29(15-5-2)22(28)33)26-20(27-18)23-7-10-24(11-8-23,12-9-23)21(32)25-13-6-16(30)34-3/h4-15H2,1-3H3,(H,25,32)(H,26,27)/t23-,24+ GTUOMXJRILRSTH-PSWAGMNNSA-N 50199282 3-{[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-amino}-propionic acid methy lester::CHEMBL384257 Adenosine receptor A1 Homo sapiens 22 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199282&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995448 104079938 CHEMBL384257 ZINC36124106 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365951 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)N(C)CC(=O)OC InChI=1S/C24H35N5O5/c1-5-13-28-18-17(19(31)29(14-6-2)22(28)33)25-20(26-18)23-7-10-24(11-8-23,12-9-23)21(32)27(3)15-16(30)34-4/h5-15H2,1-4H3,(H,25,26)/t23-,24+ BBAIDTHZIBWSIU-PSWAGMNNSA-N 50199287 2-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)bicyclo[2.2.2]octan-1-yl)(methyl)amino)acetic acid::CHEMBL384705 Adenosine receptor A1 Homo sapiens 112 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199287&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11995649 104079943 CHEMBL384705 ZINC36124124 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365954 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C=O InChI=1S/C20H28N4O3/c1-3-11-23-15-14(16(26)24(12-4-2)18(23)27)21-17(22-15)20-8-5-19(13-25,6-9-20)7-10-20/h13H,3-12H2,1-2H3,(H,21,22)/t19-,20+ SQUUDKCIIGURPO-BGYRXZFFSA-N 50199286 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbaldehyde::CHEMBL216517 Adenosine receptor A1 Homo sapiens 15 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199286&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9929405 104079942 CHEMBL216517 ZINC34034199 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365961 CCCn1c2nc(nc2c2N[C@H](C)Cn2c1=O)C12CCC(O)(CC1)CC2 InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-12(2)11-24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1 BOPRXVWIFLFNQD-PIHIASKNSA-N 50199294 (R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-methyl-4-propyl-7,8-dihydro-1H-imidazo[1,2-g]purin-5(4H)-one::CHEMBL384279 Adenosine receptor A1 Homo sapiens 60 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199294&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10291860 104079950 CHEMBL384279 ZINC36273986 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365969 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28) ZWTVVWUOTJRXKM-UHFFFAOYSA-N 50199293 3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)bicyclo[2.2.2]octan-1-yl)propanoic acid::CHEMBL414157::Tonapofylline Adenosine receptor A1 Homo sapiens 7 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199293&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 216466 104079949 CHEMBL414157 5605 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365971 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1 WYHPLEBRFOHMGR-JYMLRBTQSA-N 50199289 (R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-4-propyl-7,8-dihydro-1H-imidazo[1,2-g]purin-5(4H)-one::CHEMBL450341 Adenosine receptor A1 Homo sapiens 22 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199289&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11222501 104079945 CHEMBL450341 ZINC34409969 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365972 CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2 InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1 GPQFQBLUSJCIFV-YJPTXTSQSA-N 50199290 (R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopropyl-4-propyl-7,8-dihydro-1H-imidazo[1,2-g]purin-5(4H)-one::CHEMBL216269 Adenosine receptor A1 Homo sapiens 35 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199290&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9886438 104079946 CHEMBL216269 ZINC34009779 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50372211 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) DTYWJKSSUANMHD-UHFFFAOYSA-N 50202986 2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL240624::SCH-420814::US11440916, Preladenant::US11472811, Example Preladenant::preladenant Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10117987 104082355 CHEMBL240624 5614 ZINC53006885 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365991 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2 InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1 MCPJJPPDATVFJX-CGDGTSQQSA-N 50199301 (R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydro-1H-imidazo[1,2-g]purin-2-yl)bicyclo[2.2.2]octan-1-yl)propanoic acid::CHEMBL217268 Adenosine receptor A1 Homo sapiens 35 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199301&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10274126 104079957 CHEMBL217268 ZINC36273972 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50365995 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21) JMEHHVKPUQMNOZ-UHFFFAOYSA-N 50199303 8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL218458 Adenosine receptor A1 Homo sapiens 2 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199303&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9950776 104079959 CHEMBL218458 ZINC36273965 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50366002 CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2 InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1 FYWDHMLGEXYCSD-JEACLXLTSA-N 50199295 (R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetrahydro-1H-imidazo[1,2-g]purin-2-yl)bicyclo[2.2.2]octan-1-yl)propanoic acid::CHEMBL216200 Adenosine receptor A1 Homo sapiens 45 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199295&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10114222 104079951 CHEMBL216200 ZINC34241520 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367187 COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 InChI=1S/C18H19ClN8O5/c1-31-9-2-3-10(19)8(4-9)5-21-15-12-16(24-18(23-15)25-26-20)27(7-22-12)17-14(30)13(29)11(6-28)32-17/h2-4,7,11,13-14,17,28-30H,5-6H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1 XAQXKAIELUTQQX-LSCFUAHRSA-N 50199967 2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ribofuranosyl)adenine::CHEMBL386698 Adenosine receptor A1 Homo sapiens 60 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199967&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094575 104080423 CHEMBL386698 ZINC34800839 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367190 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccn1 InChI=1S/C18H19N9O4/c1-19-15-12-16(26(8-21-12)17-14(30)13(29)11(7-28)31-17)23-18(22-15)27-6-10(24-25-27)9-4-2-3-5-20-9/h2-6,8,11,13-14,17,28-30H,7H2,1H3,(H,19,22,23)/t11-,13-,14-,17-/m1/s1 BFNBQDWOBYWSKD-LSCFUAHRSA-N 50199968 CHEMBL218326::N6-methyl-2-[4-pyridin-2-yl-1,2,3-triazol-1-yl]-9-(beta-D-ribofuranosyl)adenine Adenosine receptor A1 Homo sapiens 1970 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199968&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094549 104080424 CHEMBL218326 ZINC34800831 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367191 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(Cc2ccccc2)nn1 InChI=1S/C22H25N9O4/c1-3-24-20(34)17-15(32)16(33)21(35-17)30-11-25-14-18(23-2)26-22(27-19(14)30)31-10-13(28-29-31)9-12-7-5-4-6-8-12/h4-8,10-11,15-17,21,32-33H,3,9H2,1-2H3,(H,24,34)(H,23,26,27)/t15-,16+,17-,21+/m0/s1 OENSVUOFBRHKIM-GRXQJBFDSA-N 50199970 9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methyl-2-(4-benzyl-1,2,3-triazol-1-yl)adenine::CHEMBL385582 Adenosine receptor A1 Homo sapiens 510 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199970&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094559 104080426 CHEMBL385582 ZINC34800834 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367192 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1ccnn1 InChI=1S/C15H19N9O4/c1-3-17-13(27)10-8(25)9(26)14(28-10)23-6-18-7-11(16-2)20-15(21-12(7)23)24-5-4-19-22-24/h4-6,8-10,14,25-26H,3H2,1-2H3,(H,17,27)(H,16,20,21)/t8-,9+,10-,14+/m0/s1 VWGHFBMIRAPKSQ-AEISUSGSSA-N 50199971 9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methyl-2-(1,2,3-triazol-1-yl)adenine::CHEMBL386263 Adenosine receptor A1 Homo sapiens 590 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199971&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094568 104080427 CHEMBL386263 ZINC34800822 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367193 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(Cl)c2)nn1 InChI=1S/C20H21ClN8O4/c1-22-18-14-19(29(9-23-14)20-16(32)15(31)13(8-30)33-20)25-17(24-18)12-7-28(27-26-12)6-10-3-2-4-11(21)5-10/h2-5,7,9,13,15-16,20,30-32H,6,8H2,1H3,(H,22,24,25)/t13-,15-,16-,20-/m1/s1 DJQKAKFNNBFTLQ-KHTYJDQRSA-N 50199972 2-[1-(3-chlorobenzyl)-1,2,3-triazol-4-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine::CHEMBL216392 Adenosine receptor A1 Homo sapiens 956 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199972&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094555 104080428 CHEMBL216392 ZINC34800821 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367198 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2ccccc2)nn1 InChI=1S/C20H22N8O4/c1-21-18-14-19(28(10-22-14)20-16(31)15(30)13(9-29)32-20)24-17(23-18)12-8-27(26-25-12)7-11-5-3-2-4-6-11/h2-6,8,10,13,15-16,20,29-31H,7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,20-/m1/s1 UUGLTPWFMHMLIW-KHTYJDQRSA-N 50199975 2-(1-benzyl-1,2,3-triazol-4-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine::CHEMBL219513 Adenosine receptor A1 Homo sapiens 770 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094554 104080431 CHEMBL219513 ZINC34800841 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367199 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(Cc2ccccc2)nn1 InChI=1S/C20H22N8O4/c1-21-17-14-18(27(10-22-14)19-16(31)15(30)13(9-29)32-19)24-20(23-17)28-8-12(25-26-28)7-11-5-3-2-4-6-11/h2-6,8,10,13,15-16,19,29-31H,7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1 WIMXXBHUJSFNRY-NVQRDWNXSA-N 50199976 CHEMBL437344::N6-methyl-2-(4-benzyl-1,2,3-triazol-1-yl)-9-(beta-D-ribofuranosyl)adenine Adenosine receptor A1 Homo sapiens 589 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199976&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094550 104080432 CHEMBL437344 ZINC34800833 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367200 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccn1 InChI=1S/C20H22N10O4/c1-3-22-18(33)15-13(31)14(32)19(34-15)29-9-24-12-16(21-2)25-20(26-17(12)29)30-8-11(27-28-30)10-6-4-5-7-23-10/h4-9,13-15,19,31-32H,3H2,1-2H3,(H,22,33)(H,21,25,26)/t13-,14+,15-,19+/m0/s1 RKEDXKOLJCMJFR-QCUYGVNKSA-N 50199977 9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methyl-2-(4-pyridin-2-yl-1,2,3-triazol-1-yl)adenine::CHEMBL219910 Adenosine receptor A1 Homo sapiens 1640 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199977&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094569 104080433 CHEMBL219910 ZINC34800827 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367209 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(N=[N+]=[N-])nc12 InChI=1S/C13H17N9O4/c1-3-16-11(25)8-6(23)7(24)12(26-8)22-4-17-5-9(15-2)18-13(20-21-14)19-10(5)22/h4,6-8,12,23-24H,3H2,1-2H3,(H,16,25)(H,15,18,19)/t6-,7+,8-,12+/m0/s1 VCOMAHDWTHMIAK-FLNNQWSLSA-N 50199981 2-azido-9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methyladenine::CHEMBL218407 Adenosine receptor A1 Homo sapiens 429 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199981&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094574 104080437 CHEMBL218407 ZINC34800838 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367210 COc1ccc(Cl)c(CNc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CC3CCCC3)nn2)c1 InChI=1S/C26H31ClN8O5/c1-39-17-6-7-18(27)15(9-17)10-28-23-20-24(34(13-29-20)25-22(38)21(37)19(12-36)40-25)31-26(30-23)35-11-16(32-33-35)8-14-4-2-3-5-14/h6-7,9,11,13-14,19,21-22,25,36-38H,2-5,8,10,12H2,1H3,(H,28,30,31)/t19-,21-,22-,25-/m1/s1 FSJVLFODYBZABL-PTGPVQHPSA-N 50199984 CHEMBL218378::N6-(5-chloro-2-methoxybenzyl)-2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-9-(beta-D-ribofuranosyl)adenine Adenosine receptor A1 Homo sapiens 830 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199984&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094561 104080440 CHEMBL218378 ZINC34800836 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367213 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCC2)nn1 InChI=1S/C19H26N8O4/c1-20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)31-18)23-19(22-16)27-7-11(24-25-27)6-10-4-2-3-5-10/h7,9-10,12,14-15,18,28-30H,2-6,8H2,1H3,(H,20,22,23)/t12-,14-,15-,18-/m1/s1 UVCPEXPHSCKQFM-SCFUHWHPSA-N 50199969 2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-Dribofuranosyl)adenine::CHEMBL219256 Adenosine receptor A1 Homo sapiens 335 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199969&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094566 104080425 CHEMBL219256 ZINC34800840 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367214 CCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C15H20N8O4/c1-3-7-4-23(21-20-7)15-18-12(16-2)9-13(19-15)22(6-17-9)14-11(26)10(25)8(5-24)27-14/h4,6,8,10-11,14,24-26H,3,5H2,1-2H3,(H,16,18,19)/t8-,10-,11-,14-/m1/s1 JBQPJIFYNWOTMD-IDTAVKCVSA-N 50199979 2-(4-ethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D-ribofuranosyl)-adenine::CHEMBL219055 Adenosine receptor A1 Homo sapiens 2920 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199979&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094562 104080435 CHEMBL219055 ZINC34800824 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367216 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(CC2CCCC2)nn1 InChI=1S/C21H29N9O4/c1-3-23-19(33)16-14(31)15(32)20(34-16)29-10-24-13-17(22-2)25-21(26-18(13)29)30-9-12(27-28-30)8-11-6-4-5-7-11/h9-11,14-16,20,31-32H,3-8H2,1-2H3,(H,23,33)(H,22,25,26)/t14-,15+,16-,20+/m0/s1 PYZZWNWJMOKZBD-KSVNGYGVSA-N 50199986 2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methyladenine::CHEMBL374787 Adenosine receptor A1 Homo sapiens 1250 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094570 104080442 CHEMBL374787 ZINC34800835 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367218 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(OC)c2)nn1 InChI=1S/C21H24N8O5/c1-22-19-15-20(29(10-23-15)21-17(32)16(31)14(9-30)34-21)25-18(24-19)13-8-28(27-26-13)7-11-4-3-5-12(6-11)33-2/h3-6,8,10,14,16-17,21,30-32H,7,9H2,1-2H3,(H,22,24,25)/t14-,16-,17-,21-/m1/s1 DDQQKJAAJWVZAV-VGKBRBPRSA-N 50199982 2-[1-(3-methoxybenzyl)-1,2,3-triazol-4-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine::CHEMBL384900 Adenosine receptor A1 Homo sapiens 957 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199982&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094567 104080438 CHEMBL384900 ZINC34800842 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367219 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CN(C)C)nn1 InChI=1S/C16H23N9O4/c1-17-13-10-14(20-16(19-13)25-5-8(21-22-25)4-23(2)3)24(7-18-10)15-12(28)11(27)9(6-26)29-15/h5,7,9,11-12,15,26-28H,4,6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1 CRKZMZSQJYBAJR-SDBHATRESA-N 50199980 2-(4-dimethylaminomethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine::CHEMBL374645 Adenosine receptor A1 Homo sapiens 3800 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199980&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094548 104080436 CHEMBL374645 ZINC34800829 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367225 CNc1nc(N=[N+]=[N-])nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H14N8O4/c1-13-8-5-9(16-11(15-8)17-18-12)19(3-14-5)10-7(22)6(21)4(2-20)23-10/h3-4,6-7,10,20-22H,2H2,1H3,(H,13,15,16)/t4-,6-,7-,10-/m1/s1 CAQREKOGAXNCLL-KQYNXXCUSA-N 50199973 2-azido-N6-methyl-9-(beta-D-ribofuranosyl)adenine::CHEMBL384425 Adenosine receptor A1 Homo sapiens 230 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199973&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094571 104080429 CHEMBL384425 ZINC34800837 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367226 CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 InChI=1S/C19H27N9O4/c1-4-6-7-10-8-28(26-25-10)19-23-15(20-3)11-16(24-19)27(9-22-11)18-13(30)12(29)14(32-18)17(31)21-5-2/h8-9,12-14,18,29-30H,4-7H2,1-3H3,(H,21,31)(H,20,23,24)/t12-,13+,14-,18+/m0/s1 KKMQZSVEHSFONP-MOROJQBDSA-N 50199983 2-(4-butyl-1,2,3-triazol-1-yl)-9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methyladenine::CHEMBL374768 Adenosine receptor A1 Homo sapiens 750 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199983&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094558 104080439 CHEMBL374768 ZINC34800826 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367228 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCCC2)nn1 InChI=1S/C20H28N8O4/c1-21-17-14-18(27(10-22-14)19-16(31)15(30)13(9-29)32-19)24-20(23-17)28-8-12(25-26-28)7-11-5-3-2-4-6-11/h8,10-11,13,15-16,19,29-31H,2-7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1 AWIAIAVIESJHNP-NVQRDWNXSA-N 50199987 2-(4-cyclohexylmethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine::CHEMBL376249 Adenosine receptor A1 Homo sapiens 1430 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199987&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094551 104080443 CHEMBL376249 ZINC35075341 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367229 CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C17H24N8O4/c1-3-4-5-9-6-25(23-22-9)17-20-14(18-2)11-15(21-17)24(8-19-11)16-13(28)12(27)10(7-26)29-16/h6,8,10,12-13,16,26-28H,3-5,7H2,1-2H3,(H,18,20,21)/t10-,12-,13-,16-/m1/s1 PSQFDQOKKSGVIF-XNIJJKJLSA-N 50199974 2-(4-butyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D-ribofuranosyl)-adenine::CHEMBL219056 Adenosine receptor A1 Homo sapiens 848 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199974&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094547 104080430 CHEMBL219056 ZINC34800825 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367233 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1 InChI=1S/C13H16N8O4/c1-14-10-7-11(18-13(17-10)21-3-2-16-19-21)20(5-15-7)12-9(24)8(23)6(4-22)25-12/h2-3,5-6,8-9,12,22-24H,4H2,1H3,(H,14,17,18)/t6-,8-,9-,12-/m1/s1 PNHKSKYNPUEAHA-WOUKDFQISA-N 50199985 CHEMBL218450::N6-methyl-9-(beta-D-ribofuranosyl)-2-(1,2,3-triazol-1-yl)adenine Adenosine receptor A1 Homo sapiens 1000 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199985&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094546 104080441 CHEMBL218450 ZINC34800823 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50367236 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CCO)nn1 InChI=1S/C15H20N8O5/c1-16-12-9-13(19-15(18-12)23-4-7(2-3-24)20-21-23)22(6-17-9)14-11(27)10(26)8(5-25)28-14/h4,6,8,10-11,14,24-27H,2-3,5H2,1H3,(H,16,18,19)/t8-,10-,11-,14-/m1/s1 RGZBLPAPIUQVMH-IDTAVKCVSA-N 50199978 2-[4-(2-hydroxyethyl)-1,2,3-triazol-1-yl]-N6-methyl-9-(beta-D-ribofuranosyl)adenine::CHEMBL219600 Adenosine receptor A1 Homo sapiens 1270 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199978&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16094563 104080434 CHEMBL219600 ZINC34800828 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50388740 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O InChI=1S/C39H41N7O6/c1-21(2)35(39(50)45-31-10-5-4-7-23(31)17-33(45)36(40)47)43-38(49)30(15-22-11-13-26(14-12-22)46(51)52)42-37(48)25-16-28-27-8-6-9-29-34(27)24(19-41-29)18-32(28)44(3)20-25/h4-14,16,19,21,25,30,32-33,35,41H,15,17-18,20H2,1-3H3,(H2,40,47)(H,42,48)(H,43,49)/t25-,30+,32-,33+,35+/m1/s1 OSBIAWPZBNFCQQ-ODNYIURZSA-N 50214409 (6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylindolin-1-yl)-3-methyl-1-oxobutan-2-ylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide::CHEMBL225368 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1021/jm060947x 10.7270/Q2BP02GQ 17539620 Vendrell, M; Angulo, E; Casado, V; Lluis, C; Franco, R; Albericio, F; Royo, M Institut d'Investigacions Biomèdiques August Pi i http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214409&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16732894 104089448 CHEMBL225368 ZINC28655516 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384525 O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1 InChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23) FCQHLVOBGNNKBH-UHFFFAOYSA-N 50211682 5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyridin-2(1H)-one::CHEMBL226238 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211682&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11544506 104087800 CHEMBL226238 ZINC13981602 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384530 COc1ncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1 InChI=1S/C17H13N7O2/c1-25-17-20-7-11(8-21-17)23-16-19-9-12(13-4-5-18-10-22-13)15(24-16)14-3-2-6-26-14/h2-10H,1H3,(H,19,23,24) ONXHHAADYYTDKN-UHFFFAOYSA-N 50211684 4'-(2-furyl)-N-(2-methoxypyrimidin-5-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL226236 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211684&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16720105 104087802 CHEMBL226236 ZINC28645184 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384538 COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1 InChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24) KFVNLZHVGOLGOY-UHFFFAOYSA-N 50211681 4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL389040 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211681&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11638790 104087799 CHEMBL389040 ZINC13981591 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384540 N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23) YRPIMMMBNUUYLG-UHFFFAOYSA-N 50211685 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine::4'-(furan-2-yl)-N-(pyridin-3-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL375293 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211685&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11716665 104087803 CHEMBL375293 5617 ZINC13981593 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384549 N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23) MIWVUJKIMLESNF-UHFFFAOYSA-N 50211680 4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-amine::CHEMBL225972 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211680&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11659696 104087798 CHEMBL225972 ZINC14210039 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384550 N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23) MIWVUJKIMLESNF-UHFFFAOYSA-N 50211680 4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-amine::CHEMBL225972 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211680&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11659696 104087798 CHEMBL225972 ZINC14210039 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384551 N(c1cnccn1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 InChI=1S/C16H11N7O/c1-2-13(24-7-1)15-11(12-3-4-18-10-21-12)8-20-16(23-15)22-14-9-17-5-6-19-14/h1-10H,(H,19,20,22,23) DLVGZMIEBGCZOC-UHFFFAOYSA-N 50211686 4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine::CHEMBL226188 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211686&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11565927 104087804 CHEMBL226188 ZINC28645181 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384554 N#Cc1cncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1 InChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25) NXCTZWROGMLVKP-UHFFFAOYSA-N 50211687 5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}nicotinonitrile::CHEMBL226237 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211687&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11537425 104087805 CHEMBL226237 ZINC28645187 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384564 [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1 InChI=1S/C17H12N6O2/c24-23-7-1-3-12(10-23)21-17-19-9-13(14-5-6-18-11-20-14)16(22-17)15-4-2-8-25-15/h1-11H,(H,19,21,22) UOPAUGXJSSLKIS-UHFFFAOYSA-N 50211679 4'-(2-furyl)-N-(1-oxidopyridin-3-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL390600 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211679&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11667107 104087797 CHEMBL390600 ZINC13981600 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384565 O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1 InChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26) KFXYTFPWHUKNNC-UHFFFAOYSA-N 50211683 1-(cyclopropylmethyl)-5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyridin-2(1H)-one::CHEMBL225982 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211683&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16720104 104087801 CHEMBL225982 ZINC28645193 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50384566 Cn1cc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)ccc1=O InChI=1S/C18H14N6O2/c1-24-10-12(4-5-16(24)25)22-18-20-9-13(14-6-7-19-11-21-14)17(23-18)15-3-2-8-26-15/h2-11H,1H3,(H,20,22,23) ZTVPMYBJPZDOKZ-UHFFFAOYSA-N 50211688 5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}-1-methylpyridin-2(1H)-one::CHEMBL438306 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211688&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16720106 104087806 CHEMBL438306 ZINC28645190 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387764 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(c4)C(C)(C)C)nn3c(N)nc12 InChI=1S/C23H31N9O/c1-15-12-30(16-11-25-31(13-16)23(2,3)4)10-9-29(15)14-19-26-21-17-7-6-8-18(33-5)20(17)27-22(24)32(21)28-19/h6-8,11,13,15H,9-10,12,14H2,1-5H3,(H2,24,27)/t15-/m1/s1 NJFOJBCWSPNWOZ-OAHLLOKOSA-N 50108677 CHEMBL3596590 Adenosine receptor A1 Homo sapiens 19150 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108677&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182882 319492821 CHEMBL3596590 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387774 CCn1cc(cn1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 InChI=1S/C21H27N9O/c1-4-29-12-15(10-23-29)28-9-8-27(14(2)11-28)13-18-24-20-16-6-5-7-17(31-3)19(16)25-21(22)30(20)26-18/h5-7,10,12,14H,4,8-9,11,13H2,1-3H3,(H2,22,25)/t14-/m1/s1 BWISKVKXIBGNEZ-CQSZACIVSA-N 50108678 CHEMBL3596589 Adenosine receptor A1 Homo sapiens 19780 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108678&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182881 319492822 CHEMBL3596589 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387779 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4nsnc4Cl)nn3c(N)nc12 InChI=1S/C18H20ClN9OS/c1-10-8-27(17-15(19)24-30-25-17)7-6-26(10)9-13-21-16-11-4-3-5-12(29-2)14(11)22-18(20)28(16)23-13/h3-5,10H,6-9H2,1-2H3,(H2,20,22)/t10-/m1/s1 LAFTYKBPQFGFAN-SNVBAGLBSA-N 50108679 CHEMBL3596518 Adenosine receptor A1 Homo sapiens 1260 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108679&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182843 319492823 CHEMBL3596518 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387788 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4sc(C)nc4C)nn3c(N)nc12 InChI=1S/C21H26N8OS/c1-12-10-28(20-13(2)23-14(3)31-20)9-8-27(12)11-17-24-19-15-6-5-7-16(30-4)18(15)25-21(22)29(19)26-17/h5-7,12H,8-11H2,1-4H3,(H2,22,25)/t12-/m1/s1 SBASPANLGYDWOU-GFCCVEGCSA-N 50108680 CHEMBL3596517 Adenosine receptor A1 Homo sapiens 1920 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108680&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182842 319492824 CHEMBL3596517 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387795 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnc(C)s4)nn3c(N)nc12 InChI=1S/C20H24N8OS/c1-12-10-27(17-9-22-13(2)30-17)8-7-26(12)11-16-23-19-14-5-4-6-15(29-3)18(14)24-20(21)28(19)25-16/h4-6,9,12H,7-8,10-11H2,1-3H3,(H2,21,24)/t12-/m1/s1 OVMXDDOSKRBABS-GFCCVEGCSA-N 50108681 CHEMBL3596516 Adenosine receptor A1 Homo sapiens 4289 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108681&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182841 319492825 CHEMBL3596516 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387796 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncc(C)s4)nn3c(N)nc12 InChI=1S/C20H24N8OS/c1-12-10-27(20-22-9-13(2)30-20)8-7-26(12)11-16-23-18-14-5-4-6-15(29-3)17(14)24-19(21)28(18)25-16/h4-6,9,12H,7-8,10-11H2,1-3H3,(H2,21,24)/t12-/m1/s1 JQQRLDARMNMUCR-GFCCVEGCSA-N 50108682 CHEMBL3596515 Adenosine receptor A1 Homo sapiens 5847 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108682&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182840 319492826 CHEMBL3596515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387798 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(C)c4)nn3c(N)nc12 InChI=1S/C20H25N9O/c1-13-10-28(14-9-22-26(2)11-14)8-7-27(13)12-17-23-19-15-5-4-6-16(30-3)18(15)24-20(21)29(19)25-17/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H2,21,24)/t13-/m1/s1 RDJIFVXEHXFTIX-CYBMUJFWSA-N 50108683 CHEMBL3596514 Adenosine receptor A1 Homo sapiens 15920 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108683&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182839 319492827 CHEMBL3596514 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387799 COc1ccc(cc1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 InChI=1S/C23H27N7O2/c1-15-13-29(16-7-9-17(31-2)10-8-16)12-11-28(15)14-20-25-22-18-5-4-6-19(32-3)21(18)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1 SAFUTBJYBAFUQI-OAHLLOKOSA-N 50108684 CHEMBL3596513 Adenosine receptor A1 Homo sapiens 2411 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108684&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182838 319492828 CHEMBL3596513 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387800 COc1cccc(c1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 InChI=1S/C23H27N7O2/c1-15-13-29(16-6-4-7-17(12-16)31-2)11-10-28(15)14-20-25-22-18-8-5-9-19(32-3)21(18)26-23(24)30(22)27-20/h4-9,12,15H,10-11,13-14H2,1-3H3,(H2,24,26)/t15-/m1/s1 VHWVPUSSAQURNZ-OAHLLOKOSA-N 50108647 CHEMBL3596512 Adenosine receptor A1 Homo sapiens 4990 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108647&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44356941 104003829 CHEMBL3596512 ZINC27435013 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387801 COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 InChI=1S/C23H27N7O2/c1-15-13-29(17-8-4-5-9-18(17)31-2)12-11-28(15)14-20-25-22-16-7-6-10-19(32-3)21(16)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1 AVHLJSGXVGYCKK-OAHLLOKOSA-N 50108648 CHEMBL3596511 Adenosine receptor A1 Homo sapiens 8394 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108648&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44356954 104003830 CHEMBL3596511 ZINC27433602 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387802 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncccn4)nn3c(N)nc12 InChI=1S/C20H23N9O/c1-13-11-28(20-22-7-4-8-23-20)10-9-27(13)12-16-24-18-14-5-3-6-15(30-2)17(14)25-19(21)29(18)26-16/h3-8,13H,9-12H2,1-2H3,(H2,21,25)/t13-/m1/s1 UGNIFDZRCGZKQD-CYBMUJFWSA-N 50108649 CHEMBL3596510 Adenosine receptor A1 Homo sapiens 1547 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108649&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44356940 104003831 CHEMBL3596510 ZINC27435623 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387803 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccncc4)nn3c(N)nc12 InChI=1S/C21H24N8O/c1-14-12-28(15-6-8-23-9-7-15)11-10-27(14)13-18-24-20-16-4-3-5-17(30-2)19(16)25-21(22)29(20)26-18/h3-9,14H,10-13H2,1-2H3,(H2,22,25)/t14-/m1/s1 GSHURFXAZDZQNT-CQSZACIVSA-N 50108650 CHEMBL3596509 Adenosine receptor A1 Homo sapiens 8024 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108650&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44356403 104003832 CHEMBL3596509 ZINC27429192 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387804 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccnc4)nn3c(N)nc12 InChI=1S/C21H24N8O/c1-14-12-28(15-5-4-8-23-11-15)10-9-27(14)13-18-24-20-16-6-3-7-17(30-2)19(16)25-21(22)29(20)26-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,22,25)/t14-/m1/s1 ANVXHXGEVYBTKN-CQSZACIVSA-N 50108651 CHEMBL3596508 Adenosine receptor A1 Homo sapiens 8689 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108651&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44356949 104003833 CHEMBL3596508 ZINC27431880 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387805 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccn4)nn3c(N)nc12 InChI=1S/C21H24N8O/c1-14-12-28(18-8-3-4-9-23-18)11-10-27(14)13-17-24-20-15-6-5-7-16(30-2)19(15)25-21(22)29(20)26-17/h3-9,14H,10-13H2,1-2H3,(H2,22,25)/t14-/m1/s1 HOMZMCWVXKVXLX-CQSZACIVSA-N 50108671 CHEMBL3596507 Adenosine receptor A1 Homo sapiens 3087 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108671&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182832 319492815 CHEMBL3596507 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387806 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4)nn3c(N)nc12 InChI=1S/C22H25N7O/c1-15-13-28(16-7-4-3-5-8-16)12-11-27(15)14-19-24-21-17-9-6-10-18(30-2)20(17)25-22(23)29(21)26-19/h3-10,15H,11-14H2,1-2H3,(H2,23,25)/t15-/m1/s1 RQPQGMWYGNBUKK-OAHLLOKOSA-N 50108672 CHEMBL3596506 Adenosine receptor A1 Homo sapiens 1095 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108672&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90268061 319492816 CHEMBL3596506 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387807 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cn4)nn3c(N)nc12 InChI=1S/C21H23FN8O/c1-13-11-29(18-7-6-14(22)10-24-18)9-8-28(13)12-17-25-20-15-4-3-5-16(31-2)19(15)26-21(23)30(20)27-17/h3-7,10,13H,8-9,11-12H2,1-2H3,(H2,23,26)/t13-/m1/s1 MLKYZAOUHNKPGX-CYBMUJFWSA-N 50108673 CHEMBL3596505 Adenosine receptor A1 Homo sapiens 2723 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108673&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182831 319492817 CHEMBL3596505 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387827 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cc4)nn3c(N)nc12 InChI=1S/C22H24FN7O/c1-14-12-29(16-8-6-15(23)7-9-16)11-10-28(14)13-19-25-21-17-4-3-5-18(31-2)20(17)26-22(24)30(21)27-19/h3-9,14H,10-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 MQKKAQLHMBBFHM-CQSZACIVSA-N 50108676 CHEMBL3596502 Adenosine receptor A1 Homo sapiens 1448 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108676&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90268057 319492820 CHEMBL3596502 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387828 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4F)nn3c(N)nc12 InChI=1S/C22H24FN7O/c1-14-12-29(17-8-4-3-7-16(17)23)11-10-28(14)13-19-25-21-15-6-5-9-18(31-2)20(15)26-22(24)30(21)27-19/h3-9,14H,10-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 DJELAMXUNKZXCL-CQSZACIVSA-N 50108675 CHEMBL3596503 Adenosine receptor A1 Homo sapiens 3546 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108675&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182829 319492819 CHEMBL3596503 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50387829 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12 InChI=1S/C22H24FN7O/c1-14-12-29(16-6-3-5-15(23)11-16)10-9-28(14)13-19-25-21-17-7-4-8-18(31-2)20(17)26-22(24)30(21)27-19/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 ZJCWMJGOWBGMOH-CQSZACIVSA-N 50108674 CHEMBL3596504 Adenosine receptor A1 Homo sapiens 1374 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108674&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122182830 319492818 CHEMBL3596504 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50395677 CC1(C)CC(CC(C)(C)N1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H30N6O4/c1-18(2)5-10(6-19(3,4)24-18)23-15-12-16(21-8-20-15)25(9-22-12)17-14(28)13(27)11(7-26)29-17/h8-11,13-14,17,24,26-28H,5-7H2,1-4H3,(H,20,21,23)/t11-,13-,14-,17-/m1/s1 YQDOORANLOODTR-LSCFUAHRSA-N 50219386 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(2,2,6,6-tetramethylpiperidin-4-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL249492 Adenosine receptor A1 Homo sapiens 1580 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50219386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50219386&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442016 104092642 CHEMBL249492 ZINC28950684 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50395679 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C33H42N6O6/c1-32(2,3)21-13-19(14-22(25(21)41)33(4,5)6)30(44)34-12-11-18-7-9-20(10-8-18)38-28-24-29(36-16-35-28)39(17-37-24)31-27(43)26(42)23(15-40)45-31/h7-10,13-14,16-17,23,26-27,31,40-43H,11-12,15H2,1-6H3,(H,34,44)(H,35,36,38)/t23-,26-,27-,31-/m1/s1 GCZXLSYFHULECQ-HYHFPRINSA-N 50219387 3,5-di-tert-butyl-N-(2-{4-[9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-phenyl}-ethyl)-4-hydroxy-benzamide::CHEMBL398669 Adenosine receptor A1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50219387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50219387&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442019 104092643 CHEMBL398669 ZINC28950692 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50395680 CC1(C)NC(C)(C)c2cc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 InChI=1S/C22H28N6O4/c1-21(2)12-6-5-11(7-13(12)22(3,4)27-21)26-18-15-19(24-9-23-18)28(10-25-15)20-17(31)16(30)14(8-29)32-20/h5-7,9-10,14,16-17,20,27,29-31H,8H2,1-4H3,(H,23,24,26)/t14-,16-,17-,20-/m1/s1 NSHCGAYCUQOOPS-WVSUBDOOSA-N 50219388 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(1,1,3,3-tetramethylisoindolin-5-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL249294 Adenosine receptor A1 Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50219388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50219388&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442015 104092644 CHEMBL249294 ZINC28950679 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50395688 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C31H46N6O6/c1-30(2,3)19-13-18(14-20(23(19)39)31(4,5)6)28(42)33-12-10-8-7-9-11-32-26-22-27(35-16-34-26)37(17-36-22)29-25(41)24(40)21(15-38)43-29/h13-14,16-17,21,24-25,29,38-41H,7-12,15H2,1-6H3,(H,33,42)(H,32,34,35)/t21-,24-,25-,29-/m1/s1 WILCPLUIPOFNDM-VKUKUQHZSA-N 50219389 3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-6-ylamino)hexyl)-4-hydroxybenzamide::CHEMBL251708 Adenosine receptor A1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50219389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50219389&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442018 104092645 CHEMBL251708 ZINC28950690 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50386294 COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-10-6-9-22(17(23)19-15)11-12-7-4-5-8-13(12)26-3/h4-5,7-8H,6,9-11H2,1-3H3 IREYKMZFYCQRKW-UHFFFAOYSA-N 50212798 9-(2-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione::CHEMBL238419 Adenosine receptor A1 Homo sapiens >25000 ChEMBL 10.1016/j.bmc.2007.04.018 10.7270/Q2833RR7 17499511 Drabczynska, A; Muller, CE; Karolak-Wojciechowska, J; Schumacher, B; Schiedel, A; Yuzlenko, O; Kiec-Kononowicz, K Jagiellonian University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212798&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16755701 104088558 CHEMBL238419 ZINC28873955 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389572 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O2S/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 QMJFSSNSVVHFPD-IXPVHAAZSA-N 50214974 (2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)tetrahydrothiophene3,4-diol::(2R,3R,4S)-2-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL413686 Adenosine receptor A1 Homo sapiens 2490 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214974&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16220189 104089791 CHEMBL413686 ZINC28656123 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389576 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 JXJRUAGROQMNET-MOROJQBDSA-N 50177309 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic aciddimethylamide::CHEMBL436485 Adenosine receptor A1 Homo sapiens 6220 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177309&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16656768 104062777 CHEMBL436485 ZINC28568789 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389579 CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O InChI=1S/C10H12ClN5O2S/c1-12-7-5-8(15-10(11)14-7)16(3-13-5)9-6(18)4(17)2-19-9/h3-4,6,9,17-18H,2H2,1H3,(H,12,14,15)/t4-,6-,9-/m1/s1 ANLGHWMSNKUOET-NVMQTXNBSA-N 50214978 (2R,3R,4S)-2-(2-chloro-6-(methylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL388145 Adenosine receptor A1 Homo sapiens 55.4 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214978&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16735540 104089795 CHEMBL388145 ZINC28656163 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389580 O[C@@H]1[C@H](O)[C@]2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H19IN6O4/c20-11-3-1-2-10(6-11)7-22-15-12-16(24-8-23-15)26(9-25-12)17-13(27)14(28)19(30-17)4-5-21-18(19)29/h1-3,6,8-9,13-14,17,27-28H,4-5,7H2,(H,21,29)(H,22,23,24)/t13-,14+,17-,19+/m1/s1 GFHAZFGYXHKHAK-AHMDFLBRSA-N 50118803 (2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one::3,4-Dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one::CHEMBL344187 Adenosine receptor A1 Homo sapiens 12100 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118803&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11027743 104012066 CHEMBL344187 ZINC27517859 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389582 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O4/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SSKBQNVCIHZKNS-MOROJQBDSA-N 50177307 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic aciddimethylamide::CHEMBL373065 Adenosine receptor A1 Homo sapiens 5870 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177307&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11678491 104062775 CHEMBL373065 ZINC28568835 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394938 COc1ccc(cc1)-n1cc2c(n1)c(NC(C)=O)nc1ccccc21 InChI=1S/C19H16N4O2/c1-12(24)20-19-18-16(15-5-3-4-6-17(15)21-19)11-23(22-18)13-7-9-14(25-2)10-8-13/h3-11H,1-2H3,(H,20,21,24) ROEZGKWFGFFSDT-UHFFFAOYSA-N 50218908 CHEMBL242422::N-(2-(4-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide Adenosine receptor A1 Homo sapiens 2875 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218908&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427584 104092367 CHEMBL242422 ZINC28710895 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394939 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21 InChI=1S/C31H24N4O/c1-21-11-10-16-24(19-21)35-20-26-25-17-8-9-18-27(25)32-30(29(26)34-35)33-31(36)28(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-20,28H,1H3,(H,32,33,36) IJNNXEYCDPZTQQ-UHFFFAOYSA-N 50218909 2,2-diphenyl-N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide::CHEMBL242851 Adenosine receptor A1 Homo sapiens 559 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218909&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427591 104092368 CHEMBL242851 ZINC28710903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394940 Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18) MVHJGGYPZDDBQV-UHFFFAOYSA-N 50091117 2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL320805 Adenosine receptor A1 Homo sapiens 659 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091117&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10491577 103989503 CHEMBL320805 ZINC13672178 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394943 COc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21 InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-10-14-13-4-2-3-5-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21) GCANLAFNZTWZHK-UHFFFAOYSA-N 50218911 2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one::2-(4-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4(5H)-one::CHEMBL242203 Adenosine receptor A1 Homo sapiens 176.4 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218911&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10661229 104092370 CHEMBL242203 ZINC13809636 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394944 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21 InChI=1S/C25H20N4O/c1-17-8-7-11-19(14-17)29-16-21-20-12-5-6-13-22(20)26-25(24(21)28-29)27-23(30)15-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H,26,27,30) DBRXZRAXWRCYDB-UHFFFAOYSA-N 50218912 2-phenyl-N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide::CHEMBL242633 Adenosine receptor A1 Homo sapiens 60 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218912&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427588 104092371 CHEMBL242633 ZINC28710899 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394946 Cc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21 InChI=1S/C17H13N3O/c1-11-5-4-6-12(9-11)20-10-14-13-7-2-3-8-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21) KHYUWCCULSYNJP-UHFFFAOYSA-N 50218914 2-m-Tolyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one::2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one::CHEMBL387592 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218914&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10588437 104092373 CHEMBL387592 ZINC13809635 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394950 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A1 Homo sapiens 6200 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394953 COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4O/c1-22-12-6-4-5-11(9-12)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) POCGSYFXHADFKF-UHFFFAOYSA-N 50218916 2-(3-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL388458 Adenosine receptor A1 Homo sapiens 32 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218916&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427581 104092375 CHEMBL388458 ZINC28710892 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394956 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21 InChI=1S/C24H18N4O/c1-16-8-7-11-18(14-16)28-15-20-19-12-5-6-13-21(19)25-23(22(20)27-28)26-24(29)17-9-3-2-4-10-17/h2-15H,1H3,(H,25,26,29) OJHDOIIUJLKKAH-UHFFFAOYSA-N 50218919 CHEMBL242424::N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)benzamide Adenosine receptor A1 Homo sapiens 57 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218919&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427585 104092378 CHEMBL242424 ZINC28710896 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394957 COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4O/c1-22-12-8-6-11(7-9-12)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) NHWOTOQPRYZNAV-UHFFFAOYSA-N 50091128 2-(4-Methoxy-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-(4-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL105913 Adenosine receptor A1 Homo sapiens 40 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091128&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10732242 103989514 CHEMBL105913 ZINC13672189 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389586 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A1 Homo sapiens 222 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389591 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IRIUFVPPSHYZRM-PFHKOEEOSA-N 50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732 Adenosine receptor A1 Homo sapiens 193 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180197&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11813713 104065330 CHEMBL200732 ZINC28563903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394958 COc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21 InChI=1S/C17H13N3O2/c1-22-12-6-4-5-11(9-12)20-10-14-13-7-2-3-8-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21) QCEZYGVYMOEOOZ-UHFFFAOYSA-N 50218910 2-(3-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4(5H)-one::CHEMBL388250 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218910&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427579 104092369 CHEMBL388250 ZINC28710889 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394961 Cc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21 InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-10-14-13-4-2-3-5-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21) KTONIIHJBREXRC-UHFFFAOYSA-N 50218920 2-p-Tolyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one::2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one::CHEMBL242202 Adenosine receptor A1 Homo sapiens 29 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218920&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10731097 104092379 CHEMBL242202 ZINC13672172 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394965 O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20) ISMLHIIGSRUCOQ-UHFFFAOYSA-N 50218922 2-Phenyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one::2-phenyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one::CHEMBL241987::cid_4962866 Adenosine receptor A1 Homo sapiens 203 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218922&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4962866 104092381 CHEMBL241987 ZINC03888482 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394966 COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21 InChI=1S/C24H18N4O2/c1-30-18-13-11-17(12-14-18)28-15-20-19-9-5-6-10-21(19)25-23(22(20)27-28)26-24(29)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,26,29) RPXVQXPLNOJZBB-UHFFFAOYSA-N 50218923 CHEMBL390407::N-(2-(4-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-yl)benzamide Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218923&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427587 104092382 CHEMBL390407 ZINC28710898 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394967 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1cccc(C)c1 InChI=1S/C19H16N4O/c1-12-6-5-7-14(10-12)23-11-16-15-8-3-4-9-17(15)21-19(18(16)22-23)20-13(2)24/h3-11H,1-2H3,(H,20,21,24) IYLGSFHIUVSCPD-UHFFFAOYSA-N 50218926 CHEMBL242421::N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide Adenosine receptor A1 Homo sapiens 203 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218926&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427582 104092385 CHEMBL242421 ZINC28710893 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394969 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394976 COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21 InChI=1S/C25H20N4O2/c1-31-19-13-11-18(12-14-19)29-16-21-20-9-5-6-10-22(20)26-25(24(21)28-29)27-23(30)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,26,27,30) YYTTWBPSCWWTLX-UHFFFAOYSA-N 50218918 CHEMBL390408::N-(2-(4-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-yl)-2-phenylacetamide Adenosine receptor A1 Homo sapiens 201 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218918&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427590 104092377 CHEMBL390408 ZINC28710901 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394979 [O-][N+](=O)c1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21 InChI=1S/C16H10N4O3/c21-16-15-13(12-3-1-2-4-14(12)17-16)9-19(18-15)10-5-7-11(8-6-10)20(22)23/h1-9H,(H,17,21) FWRCGWZCYORBRR-UHFFFAOYSA-N 50218928 2-(4-nitrophenyl)-2H-pyrazolo[3,4-c]quinolin-4(5H)-one::CHEMBL242204 Adenosine receptor A1 Homo sapiens 357 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218928&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427580 104092387 CHEMBL242204 ZINC28710890 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394980 Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) XVEJYBYRDZTECS-UHFFFAOYSA-N 50091144 2-p-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL106346 Adenosine receptor A1 Homo sapiens 45 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091144&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10754789 103989528 CHEMBL106346 ZINC13672185 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394982 Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4/c1-11-5-4-6-12(9-11)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) NJFGXLMDWIXVEW-UHFFFAOYSA-N 50091130 2-m-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL107446 Adenosine receptor A1 Homo sapiens 21 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091130&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10612371 103989516 CHEMBL107446 ZINC13672183 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394986 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)NCc1ccccc1)nc1ccccc21 InChI=1S/C25H21N5O/c1-17-8-7-11-19(14-17)30-16-21-20-12-5-6-13-22(20)27-24(23(21)29-30)28-25(31)26-15-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H2,26,27,28,31) PBQVUIVQXYVIJY-UHFFFAOYSA-N 50218930 1-benzyl-3-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)urea::CHEMBL231560 Adenosine receptor A1 Homo sapiens 6800 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218930&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427595 104092389 CHEMBL231560 ZINC28710907 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394989 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccc(C)cc1 InChI=1S/C19H16N4O/c1-12-7-9-14(10-8-12)23-11-16-15-5-3-4-6-17(15)21-19(18(16)22-23)20-13(2)24/h3-11H,1-2H3,(H,20,21,24) NJHFXFSXKRPREQ-UHFFFAOYSA-N 50218924 CHEMBL388459::N-(2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide Adenosine receptor A1 Homo sapiens 455 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218924&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427583 104092383 CHEMBL388459 ZINC28710894 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50394990 Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21 InChI=1S/C24H18N4O/c1-16-11-13-18(14-12-16)28-15-20-19-9-5-6-10-21(19)25-23(22(20)27-28)26-24(29)17-7-3-2-4-8-17/h2-15H,1H3,(H,25,26,29) ZARLKOOVPRBBPD-UHFFFAOYSA-N 50218917 CHEMBL242632::N-(2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)benzamide Adenosine receptor A1 Homo sapiens 629 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218917&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427586 104092376 CHEMBL242632 ZINC28710897 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389704 OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1 JIAPKIWZYOTZQP-KBEZCGTCSA-N 50215111 (1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-iodobenzyl)-adenin-9-yl)-2-oxa-5-azabicyclo[2:2:1]heptane::CHEMBL235543 Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215111&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 23653582 104089866 CHEMBL235543 ZINC28864996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389709 CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H20IN7O3/c1-21-18(29)19-7-23-12(14(19)28)17(30-19)27-9-26-13-15(24-8-25-16(13)27)22-6-10-3-2-4-11(20)5-10/h2-5,8-9,12,14,17,23,28H,6-7H2,1H3,(H,21,29)(H,22,24,25)/t12-,14+,17-,19+/m1/s1 DXZPRFRRCBFUQL-DLHOMVGQSA-N 50215110 (1R,3R,4R,7S)-(7-hydroxy-3-(N6-(3-iodobenzyl)-adenin-9-yl)-2-oxa-5-azabicyclo[2:2:1]hept-1-yl)-N-methylcarboxamide::CHEMBL391483 Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215110&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44436079 104089865 CHEMBL391483 ZINC28864999 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389713 OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1 JIAPKIWZYOTZQP-KBEZCGTCSA-N 50215111 (1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-iodobenzyl)-adenin-9-yl)-2-oxa-5-azabicyclo[2:2:1]heptane::CHEMBL235543 Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215111&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 23653582 104089866 CHEMBL235543 ZINC28864996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389721 CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H21IN6O4/c1-21-18(28)14-13(27)15(29-2)19(30-14)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,15-,19-/m1/s1 ZYVFEGHLNPDSHB-NXEZDXNNSA-N 50215116 CHEMBL393362::N6-(3-iodobenzyl)-2'-O-methyladenosine-N-methyl-5'-uronamide Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215116&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44436082 104089871 CHEMBL393362 ZINC28865007 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389722 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 FPUGCISOLXNPPC-IOSLPCCCSA-N 50144945 (2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3-ol::(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol::2'-O-Methyladenosine::CHEMBL73237 Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50144945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50144945&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 102213 104033932 69426 CHEMBL73237 ZINC03776540 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389724 CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H20IN7O3/c1-21-18(29)19-7-23-12(14(19)28)17(30-19)27-9-26-13-15(24-8-25-16(13)27)22-6-10-3-2-4-11(20)5-10/h2-5,8-9,12,14,17,23,28H,6-7H2,1H3,(H,21,29)(H,22,24,25)/t12-,14+,17-,19+/m1/s1 DXZPRFRRCBFUQL-DLHOMVGQSA-N 50215110 (1R,3R,4R,7S)-(7-hydroxy-3-(N6-(3-iodobenzyl)-adenin-9-yl)-2-oxa-5-azabicyclo[2:2:1]hept-1-yl)-N-methylcarboxamide::CHEMBL391483 Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215110&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44436079 104089865 CHEMBL391483 ZINC28864999 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389725 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H20IN5O4/c1-27-15-14(26)12(7-25)28-18(15)24-9-23-13-16(21-8-22-17(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14-15,18,25-26H,6-7H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1 OATZXEKAXIIRDK-SCFUHWHPSA-N 50215115 CHEMBL428377::N6-(3-Iodobenzyl)-2'-O-methyladenosine Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215115&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44436081 104089870 CHEMBL428377 ZINC28865004 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389729 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 FPUGCISOLXNPPC-IOSLPCCCSA-N 50144945 (2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3-ol::(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol::2'-O-Methyladenosine::CHEMBL73237 Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50144945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50144945&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 102213 104033932 69426 CHEMBL73237 ZINC03776540 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389732 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H20IN5O4/c1-27-15-14(26)12(7-25)28-18(15)24-9-23-13-16(21-8-22-17(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14-15,18,25-26H,6-7H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1 OATZXEKAXIIRDK-SCFUHWHPSA-N 50215115 CHEMBL428377::N6-(3-Iodobenzyl)-2'-O-methyladenosine Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215115&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44436081 104089870 CHEMBL428377 ZINC28865004 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50389723 CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H21IN6O4/c1-21-18(28)14-13(27)15(29-2)19(30-14)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,15-,19-/m1/s1 ZYVFEGHLNPDSHB-NXEZDXNNSA-N 50215116 CHEMBL393362::N6-(3-iodobenzyl)-2'-O-methyladenosine-N-methyl-5'-uronamide Adenosine receptor A1 Homo sapiens >3000 ChEMBL 10.1016/j.bmc.2007.05.056 10.7270/Q2086515 17560111 Ravn, J; Qvortrup, K; Rosenbohm, C; Koch, T Santaris Pharma A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215116&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44436082 104089871 CHEMBL393362 ZINC28865007 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410147 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) FUKUTZINQOQZRW-UHFFFAOYSA-N 50233109 8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252045 Adenosine receptor A1 Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233109&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266765 104055675 CHEMBL252045 ZINC28564191 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410151 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1 InChI=1S/C21H18ClN7O3/c1-2-7-29-20(30)17-19(26-21(29)31)25-18(24-17)13-9-23-28(10-13)11-15-8-16(32-27-15)12-3-5-14(22)6-4-12/h3-6,8-10H,2,7,11H2,1H3,(H,24,25)(H,26,31) KFTSTPKLPSPVSO-UHFFFAOYSA-N 50233079 8-(1-((5-(4-chlorophenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251879 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233079&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266759 104055645 CHEMBL251879 ZINC29037360 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410152 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31) HWHLLTUJISZFDN-UHFFFAOYSA-N 50233086 8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252048::CVT-6694 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233086&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10226014 104055652 CHEMBL252048 ZINC29037323 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410155 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27) QHQXJNOXMJZDGX-UHFFFAOYSA-N 50233091 8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252245 Adenosine receptor A1 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233091&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266775 104055657 CHEMBL252245 ZINC28564226 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410157 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27) ZIRDIKJQVSWMQR-UHFFFAOYSA-N 50233101 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL404131 Adenosine receptor A1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233101&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958593 104055667 CHEMBL404131 ZINC29037284 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410158 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C17H15FN6O2/c1-2-24-16(25)13-15(22-17(24)26)21-14(20-13)11-7-19-23(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,2,8H2,1H3,(H,20,21)(H,22,26) LMHCZAIOWQUQDU-UHFFFAOYSA-N 50233094 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251875 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233094&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266730 104055660 CHEMBL251875 ZINC29037281 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410166 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C19H19FN6O2/c1-2-3-7-26-18(27)15-17(24-19(26)28)23-16(22-15)13-9-21-25(11-13)10-12-5-4-6-14(20)8-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,22,23)(H,24,28) JBGRNTKBOQPADE-UHFFFAOYSA-N 50233102 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6(3H,7H)-dione::CHEMBL253048 Adenosine receptor A1 Homo sapiens 4200 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233102&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10150517 104055668 CHEMBL253048 ZINC29037288 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410167 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C19H20N6O2/c1-2-3-9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,27) KWOQGNHDXLJPBS-UHFFFAOYSA-N 50233084 8-(1-benzyl-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251874 Adenosine receptor A1 Homo sapiens 5100 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233084&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958725 104055650 CHEMBL251874 ZINC29037272 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410177 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C18H18N6O2/c1-2-8-24-17(25)14-16(22-18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,26) KAYVCWBEIZTVCN-UHFFFAOYSA-N 50233078 8-(1-benzyl-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL404130 Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233078&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10308937 104055644 CHEMBL404130 ZINC29037271 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410183 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C20H19F3N6O2/c1-2-3-7-29-18(30)15-17(27-19(29)31)26-16(25-15)13-9-24-28(11-13)10-12-5-4-6-14(8-12)20(21,22)23/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,25,26)(H,27,31) WHFPIHBGEYJNRV-UHFFFAOYSA-N 50233092 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6(3H,7H)-dione::CHEMBL253049 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233092&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958745 104055658 CHEMBL253049 ZINC29037290 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410189 Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 InChI=1S/C19H17FN6O2/c20-14-3-1-2-12(6-14)8-25-10-13(7-21-25)16-22-15-17(23-16)24-19(28)26(18(15)27)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)(H,24,28) MPEVYLSAXRNPKT-UHFFFAOYSA-N 50233099 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL253252 Adenosine receptor A1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233099&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958775 104055665 CHEMBL253252 ZINC29037297 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50414467 O=C(NCc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O InChI=1S/C23H18N6O2/c30-22(24-15-16-9-3-1-4-10-16)26-20-21-27-29(17-11-5-2-6-12-17)23(31)28(21)19-14-8-7-13-18(19)25-20/h1-14H,15H2,(H2,24,25,26,30) VIBOPLGOAIYGMR-UHFFFAOYSA-N 50271536 4-benzylureido-1,2-dihydro-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-1-one::CHEMBL508203 Adenosine receptor A1 Homo sapiens 12.3 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271536&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44586253 104116291 CHEMBL508203 ZINC40980457 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50414468 COc1ccc(cc1)-n1nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n2c1=O InChI=1S/C22H17N5O4S/c1-31-16-13-11-15(12-14-16)27-22(28)26-19-10-6-5-9-18(19)23-20(21(26)24-27)25-32(29,30)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,25) VCYUGUJKIBPHHS-UHFFFAOYSA-N 50271450 CHEMBL482701::N-(2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide Adenosine receptor A1 Homo sapiens 2700 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271450&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44586199 104116222 CHEMBL482701 ZINC40938587 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50414469 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccncc3)nc3ccccc3n2c1=O InChI=1S/C22H16N6O3/c1-31-16-8-6-15(7-9-16)28-22(30)27-18-5-3-2-4-17(18)24-19(20(27)26-28)25-21(29)14-10-12-23-13-11-14/h2-13H,1H3,(H,24,25,29) OTBVDTOGBXZBSN-UHFFFAOYSA-N 50272032 CHEMBL526134::N-(2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)isonicotinamide Adenosine receptor A1 Homo sapiens 779 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50272032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50272032&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44586717 104116557 CHEMBL526134 ZINC40425066 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50414470 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccncc1 InChI=1S/C21H14N6O2/c28-20(14-10-12-22-13-11-14)24-18-19-25-27(15-6-2-1-3-7-15)21(29)26(19)17-9-5-4-8-16(17)23-18/h1-13H,(H,23,24,28) WUBKOFOYQBUNOS-UHFFFAOYSA-N 50272033 CHEMBL502005::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)isonicotinamide Adenosine receptor A1 Homo sapiens 2379 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50272033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50272033&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44586718 104116558 CHEMBL502005 ZINC40979833 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50414501 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28) HTBRQSCIUVUCRL-UHFFFAOYSA-N 50086159 CHEMBL16488::N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-benzamide::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzamide Adenosine receptor A1 Homo sapiens 87.8 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086159&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10619822 103985551 CHEMBL16488 ZINC13806267 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406011 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Br)cn2)c1C#N InChI=1S/C23H15BrN6OS2/c1-31-16-5-2-13(3-6-16)20-17(8-25)21(27)30-22(18(20)9-26)32-11-15-12-33-23(29-15)19-7-4-14(24)10-28-19/h2-7,10,12H,11H2,1H3,(H2,27,30) PKHGEOJZSBWLIL-UHFFFAOYSA-N 50117100 CHEMBL3613137 Adenosine receptor A1 Homo sapiens 53 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117100&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188760 319494375 CHEMBL3613137 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406012 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)cn2)c1C#N InChI=1S/C23H15ClN6OS2/c1-31-16-5-2-13(3-6-16)20-17(8-25)21(27)30-22(18(20)9-26)32-11-15-12-33-23(29-15)19-7-4-14(24)10-28-19/h2-7,10,12H,11H2,1H3,(H2,27,30) YQDXCPYIECMKNJ-UHFFFAOYSA-N 50117101 CHEMBL3613136 Adenosine receptor A1 Homo sapiens 24 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117101&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188759 319494376 CHEMBL3613136 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406013 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccn2)c1C#N InChI=1S/C23H16N6OS2/c1-30-16-7-5-14(6-8-16)20-17(10-24)21(26)29-22(18(20)11-25)31-12-15-13-32-23(28-15)19-4-2-3-9-27-19/h2-9,13H,12H2,1H3,(H2,26,29) PZHUEYIPPSPYPV-UHFFFAOYSA-N 50117102 CHEMBL3613135 Adenosine receptor A1 Homo sapiens 9.5 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117102&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188758 319494377 CHEMBL3613135 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406014 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(C)cc2)c1C#N InChI=1S/C25H19N5OS2/c1-15-3-5-17(6-4-15)24-29-18(13-32-24)14-33-25-21(12-27)22(20(11-26)23(28)30-25)16-7-9-19(31-2)10-8-16/h3-10,13H,14H2,1-2H3,(H2,28,30) CMWMTHOOROSVAG-UHFFFAOYSA-N 50117103 CHEMBL3613134 Adenosine receptor A1 Homo sapiens 19 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117103&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188757 319494378 CHEMBL3613134 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406015 COc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C#N)cs1 InChI=1S/C25H19N5O2S2/c1-31-18-7-3-15(4-8-18)22-20(11-26)23(28)30-25(21(22)12-27)34-14-17-13-33-24(29-17)16-5-9-19(32-2)10-6-16/h3-10,13H,14H2,1-2H3,(H2,28,30) AIIYYCLQINCKBH-UHFFFAOYSA-N 50117104 CHEMBL3613133 Adenosine receptor A1 Homo sapiens 9.3 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117104&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188756 319494379 CHEMBL3613133 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406016 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)c(Cl)c2)c1C#N InChI=1S/C24H15Cl2N5OS2/c1-32-16-5-2-13(3-6-16)21-17(9-27)22(29)31-24(18(21)10-28)34-12-15-11-33-23(30-15)14-4-7-19(25)20(26)8-14/h2-8,11H,12H2,1H3,(H2,29,31) CBPHXHYFYWNXSM-UHFFFAOYSA-N 50117105 CHEMBL3613132 Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117105&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188755 319494380 CHEMBL3613132 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406017 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccc2Cl)c1C#N InChI=1S/C24H16ClN5OS2/c1-31-16-8-6-14(7-9-16)21-18(10-26)22(28)30-24(19(21)11-27)33-13-15-12-32-23(29-15)17-4-2-3-5-20(17)25/h2-9,12H,13H2,1H3,(H2,28,30) PNURNWJQARRZDK-UHFFFAOYSA-N 50117106 CHEMBL3613131 Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117106&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188754 319494381 CHEMBL3613131 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406018 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2cccc(Cl)c2)c1C#N InChI=1S/C24H16ClN5OS2/c1-31-18-7-5-14(6-8-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-3-2-4-16(25)9-15/h2-9,12H,13H2,1H3,(H2,28,30) ZKFQUSYCGRBKLO-UHFFFAOYSA-N 50117107 CHEMBL3613130 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117107&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188753 319494382 CHEMBL3613130 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406019 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(I)cc2)c1C#N InChI=1S/C24H16IN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30) JYRGENHGMJAKIB-UHFFFAOYSA-N 50117120 CHEMBL3613129 Adenosine receptor A1 Homo sapiens 3.9 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117120&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188752 104010733 CHEMBL3613129 ZINC13475444 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406020 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Br)cc2)c1C#N InChI=1S/C24H16BrN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30) GJTVNCYVNSGGBA-UHFFFAOYSA-N 50117121 CHEMBL3613128 Adenosine receptor A1 Homo sapiens 3.8 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117121&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188751 104010734 CHEMBL3613128 ZINC13475433 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406021 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(F)cc2)c1C#N InChI=1S/C24H16FN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30) FDVAMKBVQJCXOT-UHFFFAOYSA-N 50117122 CHEMBL3613127 Adenosine receptor A1 Homo sapiens 2.3 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117122&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188750 104010735 CHEMBL3613127 ZINC13475442 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406022 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)N2CCOCC2)c1C#N InChI=1S/C22H20N6O2S2/c1-29-16-4-2-14(3-5-16)19-17(10-23)20(25)27-21(18(19)11-24)31-12-15-13-32-22(26-15)28-6-8-30-9-7-28/h2-5,13H,6-9,12H2,1H3,(H2,25,27) FFFYRUMZWXFMNZ-UHFFFAOYSA-N 50117134 CHEMBL3613126 Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117134&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188749 104010747 CHEMBL3613126 ZINC13475439 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406023 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccc2)c1C#N InChI=1S/C24H17N5OS2/c1-30-18-9-7-15(8-10-18)21-19(11-25)22(27)29-24(20(21)12-26)32-14-17-13-31-23(28-17)16-5-3-2-4-6-16/h2-10,13H,14H2,1H3,(H2,27,29) NDOSNWYPBJCLHL-UHFFFAOYSA-N 50117136 CHEMBL3613125 Adenosine receptor A1 Homo sapiens 8.4 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117136&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188748 104010749 CHEMBL3613125 ZINC13475440 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406024 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2cscn2)c1C#N InChI=1S/C18H13N5OS2/c1-24-13-4-2-11(3-5-13)16-14(6-19)17(21)23-18(15(16)7-20)26-9-12-8-25-10-22-12/h2-5,8,10H,9H2,1H3,(H2,21,23) XOUZHVIBEJKUDQ-UHFFFAOYSA-N 50117137 CHEMBL3613124 Adenosine receptor A1 Homo sapiens 1.3 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117137&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188747 104010750 CHEMBL3613124 ZINC13475447 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406025 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2nc(sc2Br)-c2ccc(Cl)cc2)c1C#N InChI=1S/C24H15BrClN5OS2/c1-32-16-8-4-13(5-9-16)20-17(10-27)22(29)31-24(18(20)11-28)33-12-19-21(25)34-23(30-19)14-2-6-15(26)7-3-14/h2-9H,12H2,1H3,(H2,29,31) DDOPJXHIMLDPKD-UHFFFAOYSA-N 50117138 CHEMBL3613123 Adenosine receptor A1 Homo sapiens 162 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117138&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188746 104010751 CHEMBL3613123 ZINC13475445 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406026 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2nc(sc2Cl)-c2ccc(Cl)cc2)c1C#N InChI=1S/C24H15Cl2N5OS2/c1-32-16-8-4-13(5-9-16)20-17(10-27)22(29)31-24(18(20)11-28)33-12-19-21(26)34-23(30-19)14-2-6-15(25)7-3-14/h2-9H,12H2,1H3,(H2,29,31) TVLKGTSDPGNDQY-UHFFFAOYSA-N 50117141 CHEMBL3613122 Adenosine receptor A1 Homo sapiens 88 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117141&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188745 319494383 CHEMBL3613122 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406027 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc3OCOc3c2)c1C#N InChI=1S/C24H14ClN5O2S2/c25-15-4-1-13(2-5-15)23-29-16(10-33-23)11-34-24-18(9-27)21(17(8-26)22(28)30-24)14-3-6-19-20(7-14)32-12-31-19/h1-7,10H,11-12H2,(H2,28,30) QNHKNTPLFYZVAI-UHFFFAOYSA-N 50117142 CHEMBL3613121 Adenosine receptor A1 Homo sapiens 4.6 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117142&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188744 319494384 CHEMBL3613121 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406028 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(O)cc2)c1C#N InChI=1S/C23H14ClN5OS2/c24-15-5-1-14(2-6-15)22-28-16(11-31-22)12-32-23-19(10-26)20(18(9-25)21(27)29-23)13-3-7-17(30)8-4-13/h1-8,11,30H,12H2,(H2,27,29) BAANGGPOUQXDGA-UHFFFAOYSA-N 50117143 CHEMBL3613120 Adenosine receptor A1 Homo sapiens 1.5 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117143&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188743 319494385 CHEMBL3613120 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406029 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)cc2)c1C#N InChI=1S/C24H16ClN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30) TVXHJIDNWXNUMN-UHFFFAOYSA-N 50117144 CHEMBL3613119 Adenosine receptor A1 Homo sapiens 5.0 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117144&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188742 319494386 CHEMBL3613119 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406030 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31) CITWCLNVRIKQAF-UHFFFAOYSA-N 50003646 CHEMBL3235279 Adenosine receptor A1 Homo sapiens 1.4 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003646&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9936489 242056456 CHEMBL3235279 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406031 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccn2)c1C#N InChI=1S/C23H16N6OS2/c1-30-16-7-5-14(6-8-16)20-17(10-24)21(26)29-22(18(20)11-25)31-12-15-13-32-23(28-15)19-4-2-3-9-27-19/h2-9,13H,12H2,1H3,(H2,26,29) PZHUEYIPPSPYPV-UHFFFAOYSA-N 50117102 CHEMBL3613135 Adenosine receptor A1 Homo sapiens 7.6 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117102&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188758 319494377 CHEMBL3613135 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406032 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)N2CCOCC2)c1C#N InChI=1S/C22H20N6O2S2/c1-29-16-4-2-14(3-5-16)19-17(10-23)20(25)27-21(18(19)11-24)31-12-15-13-32-22(26-15)28-6-8-30-9-7-28/h2-5,13H,6-9,12H2,1H3,(H2,25,27) FFFYRUMZWXFMNZ-UHFFFAOYSA-N 50117134 CHEMBL3613126 Adenosine receptor A1 Homo sapiens 1.9 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117134&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188749 104010747 CHEMBL3613126 ZINC13475439 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406033 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccc2)c1C#N InChI=1S/C24H17N5OS2/c1-30-18-9-7-15(8-10-18)21-19(11-25)22(27)29-24(20(21)12-26)32-14-17-13-31-23(28-17)16-5-3-2-4-6-16/h2-10,13H,14H2,1H3,(H2,27,29) NDOSNWYPBJCLHL-UHFFFAOYSA-N 50117136 CHEMBL3613125 Adenosine receptor A1 Homo sapiens 1.9 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117136&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188748 104010749 CHEMBL3613125 ZINC13475440 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406034 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2cscn2)c1C#N InChI=1S/C18H13N5OS2/c1-24-13-4-2-11(3-5-13)16-14(6-19)17(21)23-18(15(16)7-20)26-9-12-8-25-10-22-12/h2-5,8,10H,9H2,1H3,(H2,21,23) XOUZHVIBEJKUDQ-UHFFFAOYSA-N 50117137 CHEMBL3613124 Adenosine receptor A1 Homo sapiens 1.5 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117137&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188747 104010750 CHEMBL3613124 ZINC13475447 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406035 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)cc2)c1C#N InChI=1S/C24H16ClN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30) TVXHJIDNWXNUMN-UHFFFAOYSA-N 50117144 CHEMBL3613119 Adenosine receptor A1 Homo sapiens 2.9 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117144&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188742 319494386 CHEMBL3613119 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50406036 Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31) CITWCLNVRIKQAF-UHFFFAOYSA-N 50003646 CHEMBL3235279 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1016/j.ejmech.2015.07.023 10.7270/Q2FX7C8R 26210506 Louvel, J; Guo, D; Soethoudt, M; Mocking, TA; Lenselink, EB; Mulder-Krieger, T; Heitman, LH; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003646&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9936489 242056456 CHEMBL3235279 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50409390 CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) YBZHQFAVAQZLFB-UHFFFAOYSA-N 50232154 CHEMBL401321::N-(2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide::N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide Adenosine receptor A1 Homo sapiens 9.2 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232154&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11380183 104055428 CHEMBL401321 ZINC28966064 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50409392 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1 InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26) QMZAMLTVEASZQQ-UHFFFAOYSA-N 21172 CHEMBL251975::N-[2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 1 Adenosine receptor A1 Homo sapiens 266 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21172&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11956193 49689245 CHEMBL251975 ZINC23360505 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50409394 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 1.6 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50409403 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1 InChI=1S/C18H20N6O2S/c1-23-5-7-24(8-6-23)12-16(25)21-15-11-13(18-19-4-10-27-18)20-17(22-15)14-3-2-9-26-14/h2-4,9-11H,5-8,12H2,1H3,(H,20,21,22,25) NPNLXWRCDBORLG-UHFFFAOYSA-N 21174 CHEMBL398272::N-[2-(furan-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 26 Adenosine receptor A1 Homo sapiens 218 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21174&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768400 49689247 CHEMBL398272 ZINC23360508 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50409406 O=C(CN1CCOCC1)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C17H18N6O3/c24-16(12-22-6-9-25-10-7-22)19-14-11-15(23-5-2-4-18-23)21-17(20-14)13-3-1-8-26-13/h1-5,8,11H,6-7,9-10,12H2,(H,19,20,21,24) LGUMAGBOHGGARE-UHFFFAOYSA-N 50232156 CHEMBL252345::N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-2-morpholin-4-yl-acetamide (21) Adenosine receptor A1 Homo sapiens 63 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232156&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11956192 104055430 CHEMBL252345 ZINC28967214 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50409407 CN(C)CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C15H16N6O2/c1-20(2)10-14(22)17-12-9-13(21-7-4-6-16-21)19-15(18-12)11-5-3-8-23-11/h3-9H,10H2,1-2H3,(H,17,18,19,22) BXANNUDVSKOUNE-UHFFFAOYSA-N 50232157 2-dimethylamino-N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide::CHEMBL399577 Adenosine receptor A1 Homo sapiens 28 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232157&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24778159 104055431 CHEMBL399577 ZINC28967209 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50409408 Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C11H9N5O/c12-9-7-10(16-5-2-4-13-16)15-11(14-9)8-3-1-6-17-8/h1-7H,(H2,12,14,15) SSPIGFDAVQVRCH-UHFFFAOYSA-N 50232155 2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine::CHEMBL399529 Adenosine receptor A1 Homo sapiens 56 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232155&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11424684 104055429 CHEMBL399529 ZINC28966060 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50409410 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1 InChI=1S/C20H25N7O2/c1-14-11-15(2)27(24-14)18-12-17(22-20(23-18)16-5-4-10-29-16)21-19(28)13-26-8-6-25(3)7-9-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,21,22,23,28) BWVAXODRSJSHDC-UHFFFAOYSA-N 21175 CHEMBL252171::N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 27 Adenosine receptor A1 Homo sapiens 1730 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21175&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768401 49689248 CHEMBL252171 ZINC23360511 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411813 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30) RFVFHMYNJHWNDI-UHFFFAOYSA-N 50237065 2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)acetamide::CHEMBL403845 Adenosine receptor A1 Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237065&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448051 104056379 CHEMBL403845 ZINC29041680 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411815 COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-9-7-18(3)36-21)27-25(33)15-35-20-10-8-19(14-31(4)5)12-22(20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) VDDMGPIPCZFWJX-UHFFFAOYSA-N 50237067 CHEMBL429125::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)-2-methoxyphenoxy)acetamide Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237067&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739310 104056381 CHEMBL429125 ZINC29041704 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411821 CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) YBZHQFAVAQZLFB-UHFFFAOYSA-N 50232154 CHEMBL401321::N-(2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide::N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide Adenosine receptor A1 Homo sapiens 9.2 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232154&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11380183 104055428 CHEMBL401321 ZINC28966064 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411822 CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C25H28N6O3/c1-16-11-17(2)31(29-16)23-13-22(27-25(28-23)21-10-9-18(3)34-21)26-24(32)15-33-20-8-6-7-19(12-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) IGEDPAQDLDJKOH-UHFFFAOYSA-N 50237064 CHEMBL401895::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237064&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16654984 104056378 CHEMBL401895 ZINC29041664 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411825 COc1cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)ccc1CN(C)C InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-10-7-18(3)36-21)27-25(33)15-35-20-9-8-19(14-31(4)5)22(12-20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) GIBQHQPXEUZCCB-UHFFFAOYSA-N 50237075 CHEMBL253317::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)-3-methoxyphenoxy)acetamide Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237075&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739478 104056389 CHEMBL253317 ZINC29041706 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411826 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2ccccc2CCN2CCOCC2)nc(n1)-c1ccc(C)o1 InChI=1S/C28H32N6O4/c1-19-16-20(2)34(32-19)26-17-25(30-28(31-26)24-9-8-21(3)38-24)29-27(35)18-37-23-7-5-4-6-22(23)10-11-33-12-14-36-15-13-33/h4-9,16-17H,10-15,18H2,1-3H3,(H,29,30,31,35) NJNUNXVUFLFRNF-UHFFFAOYSA-N 50237074 CHEMBL256755::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-(2-morpholinoethyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237074&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448053 104056388 CHEMBL256755 ZINC29041700 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411830 Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2F)cc(n1)-c1nccs1 InChI=1S/C20H15FN4O3S/c1-12-6-7-16(28-12)19-23-14(20-22-8-9-29-20)10-17(25-19)24-18(26)11-27-15-5-3-2-4-13(15)21/h2-10H,11H2,1H3,(H,23,24,25,26) OUSRTLFULTUCSU-UHFFFAOYSA-N 50237070 2-(2-fluorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL404739 Adenosine receptor A1 Homo sapiens 650 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237070&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448018 104056384 CHEMBL404739 ZINC29041622 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411833 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(Cl)c2)cc(n1)-c1nccs1 InChI=1S/C20H15ClN4O3S/c1-12-5-6-16(28-12)19-23-15(20-22-7-8-29-20)10-17(25-19)24-18(26)11-27-14-4-2-3-13(21)9-14/h2-10H,11H2,1H3,(H,23,24,25,26) AGJUEHKKCLPMSY-UHFFFAOYSA-N 50237077 2-(3-chlorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255861 Adenosine receptor A1 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237077&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448024 104056391 CHEMBL255861 ZINC29041632 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411836 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(c2)C#N)cc(n1)-c1nccs1 InChI=1S/C21H15N5O3S/c1-13-5-6-17(29-13)20-24-16(21-23-7-8-30-21)10-18(26-20)25-19(27)12-28-15-4-2-3-14(9-15)11-22/h2-10H,12H2,1H3,(H,24,25,26,27) BTRDGDNHKGWPRJ-UHFFFAOYSA-N 50237079 2-(3-cyanophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255860 Adenosine receptor A1 Homo sapiens 4300 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237079&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448023 104056393 CHEMBL255860 ZINC29041630 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411838 Fc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccccn2)-c2nccs2)c1 InChI=1S/C20H14FN5O2S/c21-13-4-3-5-14(10-13)28-12-18(27)25-17-11-16(20-23-8-9-29-20)24-19(26-17)15-6-1-2-7-22-15/h1-11H,12H2,(H,24,25,26,27) QBFLDEDJGUPRBZ-UHFFFAOYSA-N 50237081 2-(3-fluorophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255699 Adenosine receptor A1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237081&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448032 104056395 CHEMBL255699 ZINC29041650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411840 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(C)nc(C)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C23H24N6O3/c1-13-9-18(10-14(2)24-13)31-12-22(30)25-20-11-21(29-16(4)8-15(3)28-29)27-23(26-20)19-7-6-17(5)32-19/h6-11H,12H2,1-5H3,(H,25,26,27,30) HZUKSEBFKWBMBQ-UHFFFAOYSA-N 50237072 CHEMBL253528::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2,6-dimethylpyridin-4-yloxy)acetamide Adenosine receptor A1 Homo sapiens 740 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237072&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448056 104056386 CHEMBL253528 ZINC29041710 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411841 Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(C)cc2)cc(n1)-c1nccs1 InChI=1S/C21H18N4O3S/c1-13-3-6-15(7-4-13)27-12-19(26)24-18-11-16(21-22-9-10-29-21)23-20(25-18)17-8-5-14(2)28-17/h3-11H,12H2,1-2H3,(H,23,24,25,26) WLQRARSNWWFZFK-UHFFFAOYSA-N 50237080 CHEMBL404744::N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)-2-(p-tolyloxy)acetamide Adenosine receptor A1 Homo sapiens 2100 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237080&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448025 104056394 CHEMBL404744 ZINC29041636 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411842 CN(C)Cc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1 InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-6-18(3)34-21)26-24(32)15-33-20-9-7-19(8-10-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) IPVNHQWAYBEVDL-UHFFFAOYSA-N 50237082 CHEMBL404863::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237082&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739309 104056396 CHEMBL404863 ZINC29041702 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411846 Cc1ccc(o1)-c1nc(NC(=O)CCc2ccccc2F)cc(n1)-c1nccs1 InChI=1S/C21H17FN4O2S/c1-13-6-8-17(28-13)20-24-16(21-23-10-11-29-21)12-18(26-20)25-19(27)9-7-14-4-2-3-5-15(14)22/h2-6,8,10-12H,7,9H2,1H3,(H,24,25,26,27) OECFCZUHCVYOCI-UHFFFAOYSA-N 50237069 3-(2-fluorophenyl)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)propanamide::CHEMBL255647 Adenosine receptor A1 Homo sapiens 410 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237069&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448014 104056383 CHEMBL255647 ZINC29041618 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411848 CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33) DIUIGJUQYDIXDX-UHFFFAOYSA-N 50237083 CHEMBL256124::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethyl(methyl)amino)methyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237083&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739646 104056397 CHEMBL256124 ZINC29041672 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411853 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(c2)C#N)nc(n1)-c1ccc(C)o1 InChI=1S/C23H20N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,13H2,1-3H3,(H,25,26,27,30) IMNOAYWUEQMUEH-UHFFFAOYSA-N 50237066 2-(3-cyanophenoxy)-N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)acetamide::CHEMBL402904 Adenosine receptor A1 Homo sapiens 25000 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237066&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448028 104056380 CHEMBL402904 ZINC29041644 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411854 CN(C)Cc1cc(C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C26H30N6O3/c1-16-7-9-21(20(11-16)14-31(5)6)34-15-25(33)27-23-13-24(32-18(3)12-17(2)30-32)29-26(28-23)22-10-8-19(4)35-22/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) JRSBOEXRHWTTLU-UHFFFAOYSA-N 50237088 CHEMBL256548::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)-4-methylphenoxy)acetamide Adenosine receptor A1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237088&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448052 104056402 CHEMBL256548 ZINC29041694 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411856 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1 InChI=1S/C22H23N7O3/c1-12-8-13(2)24-22(23-12)31-11-20(30)25-18-10-19(29-15(4)9-14(3)28-29)27-21(26-18)17-7-6-16(5)32-17/h6-10H,11H2,1-5H3,(H,25,26,27,30) VWYLETALEOIPPS-UHFFFAOYSA-N 50237071 CHEMBL404864::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yloxy)acetamide Adenosine receptor A1 Homo sapiens 95 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237071&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448055 104056385 CHEMBL404864 ZINC29041708 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411861 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(F)c2)cc(n1)-c1nccs1 InChI=1S/C20H15FN4O3S/c1-12-5-6-16(28-12)19-23-15(20-22-7-8-29-20)10-17(25-19)24-18(26)11-27-14-4-2-3-13(21)9-14/h2-10H,11H2,1H3,(H,23,24,25,26) RAECGVDQYJTWQW-UHFFFAOYSA-N 50237091 2-(3-fluorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255859 Adenosine receptor A1 Homo sapiens 2200 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237091&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448021 104056405 CHEMBL255859 ZINC29041626 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411862 COc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c(CN(C)C)c1 InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)22-9-7-18(3)36-22)27-25(33)15-35-21-10-8-20(34-6)12-19(21)14-31(4)5/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) DDKRPWSDORFUBF-UHFFFAOYSA-N 50237068 CHEMBL429850::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)-4-methoxyphenoxy)acetamide Adenosine receptor A1 Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237068&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739481 104056382 CHEMBL429850 ZINC29041696 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411863 COc1cccc(CN(C)C)c1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C26H30N6O4/c1-16-12-17(2)32(30-16)23-13-22(28-26(29-23)21-11-10-18(3)36-21)27-24(33)15-35-25-19(14-31(4)5)8-7-9-20(25)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) VXQXNOLFVCYRIO-UHFFFAOYSA-N 50237092 CHEMBL402781::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)-6-methoxyphenoxy)acetamide Adenosine receptor A1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237092&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739479 104056406 CHEMBL402781 ZINC29041698 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411866 O=C(COc1cccc(c1)C#N)Nc1cc(nc(n1)-c1ccccn1)-c1nccs1 InChI=1S/C21H14N6O2S/c22-12-14-4-3-5-15(10-14)29-13-19(28)26-18-11-17(21-24-8-9-30-21)25-20(27-18)16-6-1-2-7-23-16/h1-11H,13H2,(H,25,26,27,28) GYOCQXVVGOKQNM-UHFFFAOYSA-N 50237090 2-(3-cyanophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255911 Adenosine receptor A1 Homo sapiens 87 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237090&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448036 104056404 CHEMBL255911 ZINC29041658 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411868 CN(C)Cc1ccccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-10-18(3)34-21)26-24(32)15-33-20-9-7-6-8-19(20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) XDIDHYHAQWZUJJ-UHFFFAOYSA-N 50237085 CHEMBL256547::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237085&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739308 104056399 CHEMBL256547 ZINC29041692 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411870 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CCN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C28H32N6O4/c1-19-15-20(2)34(32-19)26-17-25(30-28(31-26)24-8-7-21(3)38-24)29-27(35)18-37-23-6-4-5-22(16-23)9-10-33-11-13-36-14-12-33/h4-8,15-17H,9-14,18H2,1-3H3,(H,29,30,31,35) FLJKEYOWOUCFNJ-UHFFFAOYSA-N 50237093 CHEMBL256546::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-morpholinoethyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 540 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237093&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739649 104056407 CHEMBL256546 ZINC29041690 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411873 Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2)cc(n1)-c1nccs1 InChI=1S/C20H16N4O3S/c1-13-7-8-16(27-13)19-22-15(20-21-9-10-28-20)11-17(24-19)23-18(25)12-26-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23,24,25) AIBOKCZKYWCPKJ-UHFFFAOYSA-N 50237073 CHEMBL255649::N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)-2-phenoxyacetamide Adenosine receptor A1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237073&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448019 104056387 CHEMBL255649 ZINC29041624 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411874 Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(F)cc2)cc(n1)-c1nccs1 InChI=1S/C20H15FN4O3S/c1-12-2-7-16(28-12)19-23-15(20-22-8-9-29-20)10-17(25-19)24-18(26)11-27-14-5-3-13(21)4-6-14/h2-10H,11H2,1H3,(H,23,24,25,26) CLEOXYQMBIUOPG-UHFFFAOYSA-N 50237089 2-(4-fluorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL404740 Adenosine receptor A1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237089&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448022 104056403 CHEMBL404740 ZINC29041628 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411876 CN(C)CCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C26H30N6O3/c1-17-13-18(2)32(30-17)24-15-23(28-26(29-24)22-10-9-19(3)35-22)27-25(33)16-34-21-8-6-7-20(14-21)11-12-31(4)5/h6-10,13-15H,11-12,16H2,1-5H3,(H,27,28,29,33) BIBQUPCUOFIXEG-UHFFFAOYSA-N 50237084 CHEMBL403846::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-(dimethylamino)ethyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237084&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739648 104056398 CHEMBL403846 ZINC29041688 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411880 CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32) JBRWEJMXORBYNB-UHFFFAOYSA-N 50237078 CHEMBL256123::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethylamino)methyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237078&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739307 104056392 CHEMBL256123 ZINC29041666 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411881 CN(C)Cc1cc(F)cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C25H27FN6O3/c1-15-8-16(2)32(30-15)23-12-22(28-25(29-23)21-7-6-17(3)35-21)27-24(33)14-34-20-10-18(13-31(4)5)9-19(26)11-20/h6-12H,13-14H2,1-5H3,(H,27,28,29,33) XHZNAIPWEJMXIP-UHFFFAOYSA-N 50237076 CHEMBL256331::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)-5-fluorophenoxy)acetamide Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237076&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739814 104056390 CHEMBL256331 ZINC29041682 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411883 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C27H29FN6O4/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-5-4-19(3)38-23)29-26(35)16-37-22-12-20(11-21(28)13-22)15-33-6-8-36-9-7-33/h4-5,10-14H,6-9,15-16H2,1-3H3,(H,29,30,31,35) UAMWVBDBNFYGKK-UHFFFAOYSA-N 50237086 CHEMBL256327::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-fluoro-5-(morpholinomethyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 480 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237086&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739813 104056400 CHEMBL256327 ZINC29041686 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411884 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(F)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C22H20FN5O3/c1-13-9-14(2)28(27-13)20-11-19(25-22(26-20)18-8-7-15(3)31-18)24-21(29)12-30-17-6-4-5-16(23)10-17/h4-11H,12H2,1-3H3,(H,24,25,26,29) OJFQBKZROTVGHM-UHFFFAOYSA-N 50237087 CHEMBL255267::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-fluorophenoxy)acetamide Adenosine receptor A1 Homo sapiens 9700 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237087&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44448026 104056401 CHEMBL255267 ZINC29041638 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411886 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCCC3)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C27H29FN6O3/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-7-6-19(3)37-23)29-26(35)16-36-22-12-20(11-21(28)13-22)15-33-8-4-5-9-33/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,29,30,31,35) ZLNPFHQZLBUZIW-UHFFFAOYSA-N 50237094 CHEMBL256332::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-fluoro-5-(pyrrolidin-1-ylmethyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237094&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739812 104056408 CHEMBL256332 ZINC29041684 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50411888 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C27H30N6O4/c1-18-13-19(2)33(31-18)25-15-24(29-27(30-25)23-8-7-20(3)37-23)28-26(34)17-36-22-6-4-5-21(14-22)16-32-9-11-35-12-10-32/h4-8,13-15H,9-12,16-17H2,1-3H3,(H,28,29,30,34) IAGBEEXFLABXGI-UHFFFAOYSA-N 50237095 CHEMBL256125::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(morpholinomethyl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237095&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24739647 104056409 CHEMBL256125 ZINC29041678 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50405655 CCCNc1cc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1 InChI=1S/C23H24ClN5O3S/c1-3-8-26-15-9-12(4-5-13-6-7-16(24)33-13)28-21-17(15)27-11-29(21)18-14-10-23(14,22(32)25-2)20(31)19(18)30/h6-7,9,11,14,18-20,30-31H,3,8,10H2,1-2H3,(H,25,32)(H,26,28)/t14-,18-,19+,20+,23+/m1/s1 GIRNPZMJVDKGMF-UXUGMQHLSA-N 50116877 CHEMBL3612941 Adenosine receptor A1 Homo sapiens 2440 ChEMBL 10.1021/acsmedchemlett.5b00150 10.7270/Q23R0VPF 26191370 Tosh, DK; Crane, S; Chen, Z; Paoletta, S; Gao, ZG; Gizewski, E; Auchampach, JA; Salvemini, D; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116877&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188580 104010503 CHEMBL3612941 ZINC26491951 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50405657 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC3CC3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1 InChI=1S/C23H24ClN9O3S/c1-25-21(36)23-6-11(23)16(17(34)18(23)35)32-9-27-15-19(26-7-10-2-3-10)28-22(29-20(15)32)33-8-12(30-31-33)13-4-5-14(24)37-13/h4-5,8-11,16-18,34-35H,2-3,6-7H2,1H3,(H,25,36)(H,26,28,29)/t11-,16-,17+,18+,23+/m1/s1 XVUQJMZGDBLFHF-LPWMEBHJSA-N 50116863 CHEMBL3612945 Adenosine receptor A1 Homo sapiens 1350 ChEMBL 10.1021/acsmedchemlett.5b00150 10.7270/Q23R0VPF 26191370 Tosh, DK; Crane, S; Chen, Z; Paoletta, S; Gao, ZG; Gizewski, E; Auchampach, JA; Salvemini, D; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116863&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188584 104010489 CHEMBL3612945 ZINC26468806 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50405659 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC3CCC3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1 InChI=1S/C24H26ClN9O3S/c1-26-22(37)24-7-12(24)17(18(35)19(24)36)33-10-28-16-20(27-8-11-3-2-4-11)29-23(30-21(16)33)34-9-13(31-32-34)14-5-6-15(25)38-14/h5-6,9-12,17-19,35-36H,2-4,7-8H2,1H3,(H,26,37)(H,27,29,30)/t12-,17-,18+,19+,24+/m1/s1 VKNKIASVBQOFDY-HWMDPKOESA-N 50116854 CHEMBL3612946 Adenosine receptor A1 Homo sapiens 710 ChEMBL 10.1021/acsmedchemlett.5b00150 10.7270/Q23R0VPF 26191370 Tosh, DK; Crane, S; Chen, Z; Paoletta, S; Gao, ZG; Gizewski, E; Auchampach, JA; Salvemini, D; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116854&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122188585 104010480 CHEMBL3612946 ZINC26466514 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50399343 Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O InChI=1S/C18H21N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3 PPHQNKPUIYRVIK-UHFFFAOYSA-N 50221697 1,3-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione::CHEMBL239864 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2007.07.051 10.7270/Q26W99TB 17827019 Drabczynska, A; Muller, CE; Schiedel, A; Schumacher, B; Karolak-Wojciechowska, J; Fruzinski, A; Zobnina, W; Yuzlenko, O; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221697&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3162488 104094284 CHEMBL239864 ZINC04249262 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50399344 Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3 PUJKERUFRDZALE-UHFFFAOYSA-N 50221691 9-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione::CHEMBL239232 Adenosine receptor A1 Homo sapiens >25000 ChEMBL 10.1016/j.bmc.2007.07.051 10.7270/Q26W99TB 17827019 Drabczynska, A; Muller, CE; Schiedel, A; Schumacher, B; Karolak-Wojciechowska, J; Fruzinski, A; Zobnina, W; Yuzlenko, O; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221691&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44437220 104094278 CHEMBL239232 ZINC28872415 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410066 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28) IDMQLXNSDSLNNR-UHFFFAOYSA-N 50233082 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251870 Adenosine receptor A1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233082&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9890439 104055648 CHEMBL251870 ZINC29037255 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410070 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24) IWZAITCKZZQXCV-UHFFFAOYSA-N 50233081 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL254725 Adenosine receptor A1 Homo sapiens 76 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233081&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9821879 104055647 CHEMBL254725 ZINC29037241 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410072 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 InChI=1S/C21H19ClN8O3/c1-2-3-8-30-20(31)16-18(27-21(30)32)26-17(25-16)13-9-23-29(10-13)11-15-24-19(33-28-15)12-4-6-14(22)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,26)(H,27,32) QSEYHOMIGYEFFY-UHFFFAOYSA-N 50233083 1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL251878 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233083&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10310768 104055649 CHEMBL251878 ZINC29037335 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410076 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) NJXVKVMVLZPERB-UHFFFAOYSA-N 50233076 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251869 Adenosine receptor A1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233076&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11654460 104055642 CHEMBL251869 ZINC29037253 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410082 O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1 InChI=1S/C19H18N6O2/c26-18-15-17(23-19(27)25(18)10-13-6-7-13)22-16(21-15)14-8-20-24(11-14)9-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,22)(H,23,27) RYWZIMZRPYRIOR-UHFFFAOYSA-N 50233087 8-(1-benzyl-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL252069 Adenosine receptor A1 Homo sapiens 3290 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233087&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958524 104055653 CHEMBL252069 ZINC29037277 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410084 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C18H15F3N6O2/c1-2-27-16(28)13-15(25-17(27)29)24-14(23-13)11-7-22-26(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,2,8H2,1H3,(H,23,24)(H,25,29) OFXKKKKJJGJUBD-UHFFFAOYSA-N 50233088 1-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251876::CVT-7124 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233088&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11774068 104055654 CHEMBL251876 ZINC29037283 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410087 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C22H19F3N8O3/c1-11(2)8-33-20(34)16-18(30-21(33)35)29-17(28-16)13-7-26-32(9-13)10-15-27-19(36-31-15)12-3-5-14(6-4-12)22(23,24)25/h3-7,9,11H,8,10H2,1-2H3,(H,28,29)(H,30,35) DLJCOAYSXAVQNE-UHFFFAOYSA-N 50233077 1-isobutyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL401834 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233077&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266741 104055643 CHEMBL401834 ZINC29037339 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410094 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C19H17F3N6O2/c1-2-6-28-17(29)14-16(26-18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-4-3-5-13(7-11)19(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3,(H,24,25)(H,26,30) SEKFWEUZFWPIIW-UHFFFAOYSA-N 50233089 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL404168 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233089&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10158974 104055655 CHEMBL404168 ZINC29037286 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410101 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C20H19F3N6O2/c1-11(2)8-29-18(30)15-17(27-19(29)31)26-16(25-15)13-7-24-28(10-13)9-12-4-3-5-14(6-12)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H,25,26)(H,27,31) WALBISMSNYUHII-UHFFFAOYSA-N 50233096 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL404348 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233096&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958525 104055662 CHEMBL404348 ZINC29037294 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410102 FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 InChI=1S/C20H17F3N6O2/c21-20(22,23)14-3-1-2-12(6-14)8-28-10-13(7-24-28)16-25-15-17(26-16)27-19(31)29(18(15)30)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,25,26)(H,27,31) MEVIOSZNKOHQTG-UHFFFAOYSA-N 50233097 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL404349 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233097&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44446477 104055663 CHEMBL404349 ZINC29037301 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410104 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C19H19FN6O2/c1-11(2)8-26-18(27)15-17(24-19(26)28)23-16(22-15)13-7-21-25(10-13)9-12-4-3-5-14(20)6-12/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,28) NMUVNLBTHYOWDK-UHFFFAOYSA-N 50233080 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL442434 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233080&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958761 104055646 CHEMBL442434 ZINC29037292 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410110 FC(F)(F)c1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 InChI=1S/C22H17F3N8O3/c23-22(24,25)14-5-3-12(4-6-14)19-27-15(31-36-19)10-32-9-13(7-26-32)17-28-16-18(29-17)30-21(35)33(20(16)34)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,28,29)(H,30,35) KRBXOPQSJDTUNC-UHFFFAOYSA-N 50233103 1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL403975 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233103&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266766 104055669 CHEMBL403975 ZINC29037347 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410115 FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35) IBGNDMUTTAHMDK-UHFFFAOYSA-N 50233100 1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL251881 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233100&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266751 104055666 CHEMBL251881 ZINC29037367 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410116 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C21H17F3N8O3/c1-2-7-32-19(33)15-17(29-20(32)34)28-16(27-15)12-8-25-31(9-12)10-14-26-18(35-30-14)11-3-5-13(6-4-11)21(22,23)24/h3-6,8-9H,2,7,10H2,1H3,(H,27,28)(H,29,34) KZGZJGCFZAFFTF-UHFFFAOYSA-N 50233104 1-propyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL427887 Adenosine receptor A1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233104&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266776 104055670 CHEMBL427887 ZINC29037331 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410117 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C19H20N6O2/c1-12(2)9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-8-20-24(11-14)10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,27) HHCAKTUURWOQFA-UHFFFAOYSA-N 50233106 8-(1-benzyl-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252068 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233106&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958783 104055672 CHEMBL252068 ZINC29037275 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410121 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 InChI=1S/C21H19N7O3/c1-2-8-28-20(29)17-19(25-21(28)30)24-18(23-17)14-10-22-27(11-14)12-15-9-16(31-26-15)13-6-4-3-5-7-13/h3-7,9-11H,2,8,12H2,1H3,(H,23,24)(H,25,30) IUHRTIPHEUHZTC-UHFFFAOYSA-N 50233107 8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252272 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233107&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266771 104055673 CHEMBL252272 ZINC29037356 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410125 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 InChI=1S/C20H18N8O3/c1-2-8-28-19(29)15-17(25-20(28)30)24-16(23-15)13-9-21-27(10-13)11-14-22-18(31-26-14)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,23,24)(H,25,30) SFKVNTJTARTRFD-UHFFFAOYSA-N 50233105 8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251854 Adenosine receptor A1 Homo sapiens 3500 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233105&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266761 104055671 CHEMBL251854 ZINC29037321 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410132 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C17H16N6O2/c1-2-23-16(24)13-15(21-17(23)25)20-14(19-13)12-8-18-22(10-12)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,25) PAZHIGAJOKRYPV-UHFFFAOYSA-N 50233098 8-(1-benzyl-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251873 Adenosine receptor A1 Homo sapiens 5600 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233098&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958681 104055664 CHEMBL251873 ZINC29037269 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410134 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 InChI=1S/C22H21N7O3/c1-13(2)10-29-21(30)18-20(26-22(29)31)25-19(24-18)15-9-23-28(11-15)12-16-8-17(32-27-16)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)(H,26,31) CSYIINADKKUNIM-UHFFFAOYSA-N 50233090 1-isobutyl-8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL251880 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233090&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266742 104055656 CHEMBL251880 ZINC29037365 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50410135 Clc1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 InChI=1S/C21H17ClN8O3/c22-14-5-3-12(4-6-14)19-24-15(28-33-19)10-29-9-13(7-23-29)17-25-16-18(26-17)27-21(32)30(20(16)31)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,25,26)(H,27,32) FWCSLQNJBDINJZ-UHFFFAOYSA-N 50233093 8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL252074 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233093&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22266756 104055659 CHEMBL252074 ZINC29037343 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50414518 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50414519 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A1 Homo sapiens 6200 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50414520 COc1ccc(cc1)-n1nc2c(NC(=O)NCc3ccccc3)nc3ccccc3n2c1=O InChI=1S/C24H20N6O3/c1-33-18-13-11-17(12-14-18)30-24(32)29-20-10-6-5-9-19(20)26-21(22(29)28-30)27-23(31)25-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H2,25,26,27,31) BZBPDOMOOAFDFM-UHFFFAOYSA-N 50271537 4-benzylureido-1,2-dihydro-2-(4-methoxyphenyl)-1,2,4-triazolo[4,3-a]quinoxalin-1-one::CHEMBL484112 Adenosine receptor A1 Homo sapiens 4215 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271537&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44586254 104116292 CHEMBL484112 ZINC40938081 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429849 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A1 Homo sapiens 222 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429850 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O4/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SSKBQNVCIHZKNS-MOROJQBDSA-N 50177307 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic aciddimethylamide::CHEMBL373065 Adenosine receptor A1 Homo sapiens 5870 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177307&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11678491 104062775 CHEMBL373065 ZINC28568835 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429851 COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H17ClIN5O5/c1-29-17(28)13-11(26)12(27)16(30-13)25-7-22-10-14(23-18(19)24-15(10)25)21-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,16,26-27H,6H2,1H3,(H,21,23,24)/t11-,12+,13-,16+/m0/s1 OOKIJVLUCWYHJJ-RSUWNVLCSA-N 50264163 5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methyl ester::CHEMBL489175 Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264163&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579667 104112261 CHEMBL489175 ZINC49877870 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429852 CONC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O5/c1-30-25-16(29)13-11(27)12(28)17(31-13)26-7-22-10-14(23-18(19)24-15(10)26)21-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,25,29)(H,21,23,24)/t11-,12+,13-,17+/m0/s1 XBEYTDKCEMOOOY-PFHKOEEOSA-N 50264164 5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methoxy-amide::CHEMBL491416 Adenosine receptor A1 Homo sapiens 870 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264164&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579668 104112262 CHEMBL491416 ZINC49878048 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429853 CON(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O5/c1-26(31-2)17(30)14-12(28)13(29)18(32-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 PWQJUKHXFSFTDU-MOROJQBDSA-N 50264165 5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methoxymethyl-amide::CHEMBL521621 Adenosine receptor A1 Homo sapiens 252 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264165&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579669 104112263 CHEMBL521621 ZINC42889060 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429854 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(21)27-17(12)28)24-7-9-3-2-4-10(22)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1 AGCJNWSEWOWGRS-DDDALXFXSA-N 50100418 (1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL27376 Adenosine receptor A1 Homo sapiens 136 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100418&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9850648 103997193 CHEMBL27376 ZINC28764076 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429855 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1 GAYWHRPOIWFKIF-DDDALXFXSA-N 50163020 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-chloro-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-chlorobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175543 Adenosine receptor A1 Homo sapiens 260 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163020&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11248240 104049113 CHEMBL175543 ZINC13611544 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429856 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1 SDIFQMIJZMPOMA-QNEDUEMWSA-N 50163016 (1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(5-chloro-2-methoxybenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL353319 Adenosine receptor A1 Homo sapiens 240 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163016&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11329375 104049109 CHEMBL353319 ZINC13611548 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429857 CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C21H21Cl2N5O4/c1-2-32-19(31)21-7-12(21)14(15(29)16(21)30)28-9-25-13-17(26-20(23)27-18(13)28)24-8-10-4-3-5-11(22)6-10/h3-6,9,12,14-16,29-30H,2,7-8H2,1H3,(H,24,26,27)/t12-,14-,15+,16+,21+/m1/s1 COPZNAKEDRBOSH-DYRGRVSNSA-N 50264166 (1S,2R,3S,4R,5S)-ethyl 4-(6-(3-chlorobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate::CHEMBL491616 Adenosine receptor A1 Homo sapiens 4820 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264166&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579670 104112264 CHEMBL491616 ZINC45498685 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429858 CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 InChI=1S/C22H23Cl2N5O5/c1-3-34-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(24)28-19(14)29)25-8-10-6-11(23)4-5-13(10)33-2/h4-6,9,12,15-17,30-31H,3,7-8H2,1-2H3,(H,25,27,28)/t12-,15-,16+,17+,22+/m1/s1 OHILWTLVFBEXEL-DHTGQPOCSA-N 50264167 (1S,2R,3S,4R,5S)-ethyl 4-(6-(5-chloro-2-methoxybenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate::CHEMBL490403 Adenosine receptor A1 Homo sapiens 1010 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264167&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579671 104112265 CHEMBL490403 ZINC40422406 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429859 CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12 InChI=1S/C22H24ClN5O4S/c1-3-32-20(31)22-8-13(22)15(16(29)17(22)30)28-10-25-14-18(26-21(33-2)27-19(14)28)24-9-11-5-4-6-12(23)7-11/h4-7,10,13,15-17,29-30H,3,8-9H2,1-2H3,(H,24,26,27)/t13-,15-,16+,17+,22+/m1/s1 MDEWERGSQOMPDJ-UOCLLMPSSA-N 50264168 (1S,2R,3S,4R,5S)-ethyl 4-(6-(3-chlorobenzylamino)-2-(methylthio)-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate::CHEMBL522111 Adenosine receptor A1 Homo sapiens 6630 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264168&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579672 104112266 CHEMBL522111 ZINC40949285 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429860 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 GSPXPSPDVBRJRV-JHOKLZQASA-N 50264213 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL490605 Adenosine receptor A1 Homo sapiens 3040 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264213&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579714 104112291 CHEMBL490605 ZINC45506184 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429861 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C18H17Cl2N5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 JDKVLAUQQJFNTK-JHOKLZQASA-N 50264214 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-chlorobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL523797 Adenosine receptor A1 Homo sapiens 3070 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264214&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579715 104112292 CHEMBL523797 ZINC40422996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429862 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 InChI=1S/C18H17BrClN5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 JUPXOEIJARYGJE-JHOKLZQASA-N 50264215 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-Bromobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chloro-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL490606 Adenosine receptor A1 Homo sapiens 1760 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264215&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579716 104112293 CHEMBL490606 ZINC45506325 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429863 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12 InChI=1S/C22H20ClN5O2/c23-22-26-20(24-9-12-6-3-5-11-4-1-2-7-13(11)12)16-21(27-22)28(10-25-16)17-14-8-15(14)18(29)19(17)30/h1-7,10,14-15,17-19,29-30H,8-9H2,(H,24,26,27)/t14-,15+,17+,18+,19-/m0/s1 BOTLKWAQAFJQRW-KFXXHRTLSA-N 50264216 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(1-naphthylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::CHEMBL490607 Adenosine receptor A1 Homo sapiens 1120 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264216&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579717 104112294 CHEMBL490607 ZINC45506328 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429864 COc1ccc(OC)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 InChI=1S/C20H22ClN5O4/c1-29-10-3-4-13(30-2)9(5-10)7-22-18-14-19(25-20(21)24-18)26(8-23-14)15-11-6-12(11)16(27)17(15)28/h3-5,8,11-12,15-17,27-28H,6-7H2,1-2H3,(H,22,24,25)/t11-,12+,15+,16+,17-/m0/s1 YQPCMZCRQXUVAU-GHVWTTSJSA-N 50264169 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(2,5-dimethoxybenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::CHEMBL490405 Adenosine receptor A1 Homo sapiens 3000 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264169&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579673 104112267 CHEMBL490405 ZINC40949287 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429865 COc1ccc(O)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 InChI=1S/C19H20ClN5O4/c1-29-9-2-3-12(26)8(4-9)6-21-17-13-18(24-19(20)23-17)25(7-22-13)14-10-5-11(10)15(27)16(14)28/h2-4,7,10-11,14-16,26-28H,5-6H2,1H3,(H,21,23,24)/t10-,11+,14+,15+,16-/m0/s1 DVJBTFRGRNLCBG-WUFOEMFESA-N 50264170 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(2-hydroxy-5-methoxybenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::CHEMBL522434 Adenosine receptor A1 Homo sapiens 1110 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264170&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579674 104112268 CHEMBL522434 ZINC40424102 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429866 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(Cl)nc12 InChI=1S/C20H20ClN5O2/c21-20-24-18(23-13-7-10(13)9-4-2-1-3-5-9)14-19(25-20)26(8-22-14)15-11-6-12(11)16(27)17(15)28/h1-5,8,10-13,15-17,27-28H,6-7H2,(H,23,24,25)/t10-,11+,12-,13+,15-,16-,17+/m1/s1 ZGLFUGCOCLZCQG-XWAOVWAASA-N 50264171 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(trans-2-phenylcyclopropylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::CHEMBL489795 Adenosine receptor A1 Homo sapiens 1790 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264171&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579675 104112269 CHEMBL489795 ZINC45496206 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429187 CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 InChI=1S/C17H20ClN3OS/c1-20-6-8-21(9-7-20)10-13-11-23-17(19)15(13)16(22)12-2-4-14(18)5-3-12/h2-5,11H,6-10,19H2,1H3 FBLJFWZLJFATLC-UHFFFAOYSA-N 50253852 (2-amino-4-((4-methylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL510840 Adenosine receptor A1 Homo sapiens 1.7 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253852&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068664 104106282 CHEMBL510840 ZINC40980788 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429188 Nc1scc(CN2CCN(CC2)c2ncccn2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C20H20ClN5OS/c21-16-4-2-14(3-5-16)18(27)17-15(13-28-19(17)22)12-25-8-10-26(11-9-25)20-23-6-1-7-24-20/h1-7,13H,8-12,22H2 FJHGONQMXVSBES-UHFFFAOYSA-N 50253308 (2-amino-4-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL494108 Adenosine receptor A1 Homo sapiens 1.7 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253308&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068718 104105856 CHEMBL494108 ZINC40952624 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429189 Nc1scc(CN2CCN(CC2)c2ccccn2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C21H21ClN4OS/c22-17-6-4-15(5-7-17)20(27)19-16(14-28-21(19)23)13-25-9-11-26(12-10-25)18-3-1-2-8-24-18/h1-8,14H,9-13,23H2 LRNXGDCNTQAXDV-UHFFFAOYSA-N 50253307 (2-amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL495121 Adenosine receptor A1 Homo sapiens 1.7 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253307&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068717 104105855 CHEMBL495121 ZINC40953957 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429190 Nc1scc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C23H21ClF3N3OS/c24-18-5-1-15(2-6-18)21(31)20-16(14-32-22(20)28)13-29-9-11-30(12-10-29)19-7-3-17(4-8-19)23(25,26)27/h1-8,14H,9-13,28H2 PIGHLLPGQFTIDD-UHFFFAOYSA-N 50253928 (2-amino-4-((4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL516625 Adenosine receptor A1 Homo sapiens 1.9 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253928&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068827 104106337 CHEMBL516625 ZINC40862442 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429191 Nc1scc(CN2CCN(CC2)c2ccc(cc2)C#N)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C23H21ClN4OS/c24-19-5-3-17(4-6-19)22(29)21-18(15-30-23(21)26)14-27-9-11-28(12-10-27)20-7-1-16(13-25)2-8-20/h1-8,15H,9-12,14,26H2 GBEKMUYDTMZKOO-UHFFFAOYSA-N 50253927 4-(4-((5-amino-4-(4-chlorobenzoyl)thiophen-3-yl)methyl)piperazin-1-yl)benzonitrile::CHEMBL461218 Adenosine receptor A1 Homo sapiens 1.8 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253927&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068720 104106336 CHEMBL461218 ZINC40862216 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429192 Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C23H22ClN3O3S/c24-17-3-1-15(2-4-17)22(28)21-16(13-31-23(21)25)12-26-7-9-27(10-8-26)18-5-6-19-20(11-18)30-14-29-19/h1-6,11,13H,7-10,12,14,25H2 VETJLOKKGTWBFO-UHFFFAOYSA-N 50253926 (2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL518345 Adenosine receptor A1 Homo sapiens 1.9 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253926&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068823 104106335 CHEMBL518345 ZINC40861942 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429193 Cc1ccc(cc1)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 InChI=1S/C23H24ClN3OS/c1-16-2-8-20(9-3-16)27-12-10-26(11-13-27)14-18-15-29-23(25)21(18)22(28)17-4-6-19(24)7-5-17/h2-9,15H,10-14,25H2,1H3 QQBFTEIZJXNNOZ-UHFFFAOYSA-N 50253925 (2-amino-4-((4-p-tolylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL461217 Adenosine receptor A1 Homo sapiens 1.7 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253925&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068716 104106334 CHEMBL461217 ZINC40861941 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429194 Nc1scc(CN2CCN(CC2)c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C22H21Cl2N3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2 WTJJQPAIMDOFHJ-UHFFFAOYSA-N 50253892 (2-amino-4-((4-(4-chlorophenyl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL460148 Adenosine receptor A1 Homo sapiens 1.8 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253892&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068666 104106311 CHEMBL460148 ZINC40861846 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429195 Nc1scc(CN2CCN(CC2)c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C22H21ClFN3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2 KYYXRPCNRQBMKL-UHFFFAOYSA-N 50253891 (2-amino-4-((4-(4-fluorophenyl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL459943 Adenosine receptor A1 Homo sapiens 1.8 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253891&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068665 104106310 CHEMBL459943 ZINC40394123 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429196 Nc1scc(CN2CCN(Cc3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C23H24ClN3OS/c24-20-8-6-18(7-9-20)22(28)21-19(16-29-23(21)25)15-27-12-10-26(11-13-27)14-17-4-2-1-3-5-17/h1-9,16H,10-15,25H2 VLUIIUMESZDQJJ-UHFFFAOYSA-N 50253890 (2-amino-4-((4-benzylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL517252 Adenosine receptor A1 Homo sapiens 1.7 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253890&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068942 104106309 CHEMBL517252 ZINC40863418 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429197 Nc1scc(CN2CCN(CC2)c2ccccc2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C22H22ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h1-9,15H,10-14,24H2 WBVSHKCZLDSJBP-UHFFFAOYSA-N 50253889 (2-amino-4-((4-phenylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL516806 Adenosine receptor A1 Homo sapiens 1.9 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253889&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068663 104106308 CHEMBL516806 ZINC40865076 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429198 Nc1scc(CN2CCN(CC2)C2CCCCC2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C22H28ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h6-9,15,19H,1-5,10-14,24H2 PNTFMBLZDHRWEH-UHFFFAOYSA-N 50253888 (2-amino-4-((4-cyclohexylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL461213 Adenosine receptor A1 Homo sapiens 1.9 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253888&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068880 104106307 CHEMBL461213 ZINC40393242 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429199 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3 KKDKAWKYGCUOGR-UHFFFAOYSA-N 50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122028 103980705 CHEMBL59532 ZINC02379515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429200 CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 InChI=1S/C17H20ClN3OS/c1-20-6-8-21(9-7-20)10-13-11-23-17(19)15(13)16(22)12-2-4-14(18)5-3-12/h2-5,11H,6-10,19H2,1H3 FBLJFWZLJFATLC-UHFFFAOYSA-N 50253852 (2-amino-4-((4-methylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL510840 Adenosine receptor A1 Homo sapiens 1.2 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253852&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068664 104106282 CHEMBL510840 ZINC40980788 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429201 Nc1scc(CN2CCN(CC2)c2ncccn2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C20H20ClN5OS/c21-16-4-2-14(3-5-16)18(27)17-15(13-28-19(17)22)12-25-8-10-26(11-9-25)20-23-6-1-7-24-20/h1-7,13H,8-12,22H2 FJHGONQMXVSBES-UHFFFAOYSA-N 50253308 (2-amino-4-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL494108 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253308&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068718 104105856 CHEMBL494108 ZINC40952624 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429202 Nc1scc(CN2CCN(CC2)c2ccccn2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C21H21ClN4OS/c22-17-6-4-15(5-7-17)20(27)19-16(14-28-21(19)23)13-25-9-11-26(12-10-25)18-3-1-2-8-24-18/h1-8,14H,9-13,23H2 LRNXGDCNTQAXDV-UHFFFAOYSA-N 50253307 (2-amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL495121 Adenosine receptor A1 Homo sapiens 1.2 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253307&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068717 104105855 CHEMBL495121 ZINC40953957 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429203 Nc1scc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C23H21ClF3N3OS/c24-18-5-1-15(2-6-18)21(31)20-16(14-32-22(20)28)13-29-9-11-30(12-10-29)19-7-3-17(4-8-19)23(25,26)27/h1-8,14H,9-13,28H2 PIGHLLPGQFTIDD-UHFFFAOYSA-N 50253928 (2-amino-4-((4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL516625 Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253928&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068827 104106337 CHEMBL516625 ZINC40862442 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429204 Nc1scc(CN2CCN(CC2)c2ccc(cc2)C#N)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C23H21ClN4OS/c24-19-5-3-17(4-6-19)22(29)21-18(15-30-23(21)26)14-27-9-11-28(12-10-27)20-7-1-16(13-25)2-8-20/h1-8,15H,9-12,14,26H2 GBEKMUYDTMZKOO-UHFFFAOYSA-N 50253927 4-(4-((5-amino-4-(4-chlorobenzoyl)thiophen-3-yl)methyl)piperazin-1-yl)benzonitrile::CHEMBL461218 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253927&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068720 104106336 CHEMBL461218 ZINC40862216 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429205 Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C23H22ClN3O3S/c24-17-3-1-15(2-4-17)22(28)21-16(13-31-23(21)25)12-26-7-9-27(10-8-26)18-5-6-19-20(11-18)30-14-29-19/h1-6,11,13H,7-10,12,14,25H2 VETJLOKKGTWBFO-UHFFFAOYSA-N 50253926 (2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL518345 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253926&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068823 104106335 CHEMBL518345 ZINC40861942 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429206 Cc1ccc(cc1)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 InChI=1S/C23H24ClN3OS/c1-16-2-8-20(9-3-16)27-12-10-26(11-13-27)14-18-15-29-23(25)21(18)22(28)17-4-6-19(24)7-5-17/h2-9,15H,10-14,25H2,1H3 QQBFTEIZJXNNOZ-UHFFFAOYSA-N 50253925 (2-amino-4-((4-p-tolylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL461217 Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253925&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068716 104106334 CHEMBL461217 ZINC40861941 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429207 Nc1scc(CN2CCN(CC2)c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C22H21Cl2N3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2 WTJJQPAIMDOFHJ-UHFFFAOYSA-N 50253892 (2-amino-4-((4-(4-chlorophenyl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL460148 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253892&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068666 104106311 CHEMBL460148 ZINC40861846 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429208 Nc1scc(CN2CCN(CC2)c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C22H21ClFN3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2 KYYXRPCNRQBMKL-UHFFFAOYSA-N 50253891 (2-amino-4-((4-(4-fluorophenyl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL459943 Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253891&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068665 104106310 CHEMBL459943 ZINC40394123 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429209 Nc1scc(CN2CCN(Cc3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C23H24ClN3OS/c24-20-8-6-18(7-9-20)22(28)21-19(16-29-23(21)25)15-27-12-10-26(11-13-27)14-17-4-2-1-3-5-17/h1-9,16H,10-15,25H2 VLUIIUMESZDQJJ-UHFFFAOYSA-N 50253890 (2-amino-4-((4-benzylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL517252 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253890&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068942 104106309 CHEMBL517252 ZINC40863418 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429210 Nc1scc(CN2CCN(CC2)c2ccccc2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C22H22ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h1-9,15H,10-14,24H2 WBVSHKCZLDSJBP-UHFFFAOYSA-N 50253889 (2-amino-4-((4-phenylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL516806 Adenosine receptor A1 Homo sapiens 1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253889&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068663 104106308 CHEMBL516806 ZINC40865076 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429211 Nc1scc(CN2CCN(CC2)C2CCCCC2)c1C(=O)c1ccc(Cl)cc1 InChI=1S/C22H28ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h6-9,15,19H,1-5,10-14,24H2 PNTFMBLZDHRWEH-UHFFFAOYSA-N 50253888 (2-amino-4-((4-cyclohexylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL461213 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253888&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25068880 104106307 CHEMBL461213 ZINC40393242 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429212 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3 KKDKAWKYGCUOGR-UHFFFAOYSA-N 50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723 Adenosine receptor A1 Homo sapiens 1.8 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122028 103980705 CHEMBL59532 ZINC02379515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50429214 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A1 Homo sapiens 15.1 ChEMBL 10.1021/jm800586p 10.7270/Q2PG1RJ9 18729349 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Iaconinoto, MA; Preti, D; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Andrea Borea, P Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430605 Nc1scc2c(nn(-c3ccccc3)c(=O)c12)C(O)=O InChI=1S/C13H9N3O3S/c14-11-9-8(6-20-11)10(13(18)19)15-16(12(9)17)7-4-2-1-3-5-7/h1-6H,14H2,(H,18,19) XOQUOBZQPFFOSV-UHFFFAOYSA-N 50253869 5-Amino-3,4-dihydro-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid::CHEMBL461622 Adenosine receptor A1 Homo sapiens 9800 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253869&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9795907 104106299 CHEMBL461622 ZINC33963343 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430606 CCOC(=O)c1nn(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c(=O)c2c(N)scc12 InChI=1S/C16H12F3N3O6S2/c1-2-27-15(24)12-10-7-29-13(20)11(10)14(23)22(21-12)8-3-5-9(6-4-8)28-30(25,26)16(17,18)19/h3-7H,2,20H2,1H3 OBLPMIOAEQMPMT-UHFFFAOYSA-N 50253836 CHEMBL462492::Ethyl 5-amino-4-oxo-3-(4-(trifluoromethylsulfonyloxy)phenyl)-3,4-dihydro-thieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 4900 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253836&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25130524 104106275 CHEMBL462492 ZINC44387464 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430607 CCOC(=O)c1nn(-c2ccc(OC(C)=O)cc2)c(=O)c2c(N)scc12 InChI=1S/C17H15N3O5S/c1-3-24-17(23)14-12-8-26-15(18)13(12)16(22)20(19-14)10-4-6-11(7-5-10)25-9(2)21/h4-8H,3,18H2,1-2H3 HTSZYTQVIVQGMU-UHFFFAOYSA-N 50253835 CHEMBL462281::Ethyl 3-(4-Acetoxyphenyl)-5-amino-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 2500 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253835&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25130170 104106274 CHEMBL462281 ZINC40867069 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430608 CCOC(=O)c1nn(-c2ccc(cc2)[N+]([O-])=O)c(=O)c2c(N)scc12 InChI=1S/C15H12N4O5S/c1-2-24-15(21)12-10-7-25-13(16)11(10)14(20)18(17-12)8-3-5-9(6-4-8)19(22)23/h3-7H,2,16H2,1H3 HZPQPESULOVLEW-UHFFFAOYSA-N 50253834 CHEMBL447654::Ethyl 5-Amino-3-(4-nitrophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 13000 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253834&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25130169 104106273 CHEMBL447654 ZINC40828903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430609 CCOC(=O)c1nn(-c2ccc(cc2)C(F)(F)F)c(=O)c2c(N)scc12 InChI=1S/C16H12F3N3O3S/c1-2-25-15(24)12-10-7-26-13(20)11(10)14(23)22(21-12)9-5-3-8(4-6-9)16(17,18)19/h3-7H,2,20H2,1H3 DUMPTHUSCVBIAM-UHFFFAOYSA-N 50253833 CHEMBL517439::Ethyl 5-Amino-4-oxo-3-(4-(trifluoromethyl)phenyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 8400 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253833&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25130523 104106272 CHEMBL517439 ZINC26421896 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430610 CCOC(=O)c1nn(-c2ccc(I)cc2)c(=O)c2c(N)scc12 InChI=1S/C15H12IN3O3S/c1-2-22-15(21)12-10-7-23-13(17)11(10)14(20)19(18-12)9-5-3-8(16)4-6-9/h3-7H,2,17H2,1H3 QHJVWGMKHIFEDX-UHFFFAOYSA-N 50253832 CHEMBL448624::Ethyl 5-amino-3-(4-iodophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 7100 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253832&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25130168 104106271 CHEMBL448624 ZINC40834547 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430611 CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12 InChI=1S/C16H15N3O4S/c1-3-23-16(21)13-11-8-24-14(17)12(11)15(20)19(18-13)9-4-6-10(22-2)7-5-9/h4-8H,3,17H2,1-2H3 ZHOXCPCRQLGLIL-UHFFFAOYSA-N 50253797 CHEMBL460366::Ethyl 5-Amino-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate::cid_719449 Adenosine receptor A1 Homo sapiens 4300 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253797&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 719449 104106240 CHEMBL460366 ZINC00119697 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430612 CCOC(=O)c1nn(-c2ccc(O)cc2)c(=O)c2c(N)scc12 InChI=1S/C15H13N3O4S/c1-2-22-15(21)12-10-7-23-13(16)11(10)14(20)18(17-12)8-3-5-9(19)6-4-8/h3-7,19H,2,16H2,1H3 MDHSOKOWTQSGOO-UHFFFAOYSA-N 50253796 CHEMBL452468::Ethyl 5-Amino-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 7100 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253796&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25130167 104106239 CHEMBL452468 ZINC40845347 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430613 CCOC(=O)c1nn(-c2cccc(c2)C(F)(F)F)c(=O)c2c(N)scc12 InChI=1S/C16H12F3N3O3S/c1-2-25-15(24)12-10-7-26-13(20)11(10)14(23)22(21-12)9-5-3-4-8(6-9)16(17,18)19/h3-7H,2,20H2,1H3 XUATXCIYBLCUER-UHFFFAOYSA-N 50253795 CHEMBL461646::Ethyl 5-Amino-4-oxo-3-(3-(trifluoromethyl)phenyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 2700 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253795&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 2288678 104106238 CHEMBL461646 ZINC02990806 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430614 CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c(N)scc12 InChI=1S/C15H12ClN3O3S/c1-2-22-15(21)12-10-7-23-13(17)11(10)14(20)19(18-12)9-5-3-4-8(16)6-9/h3-7H,2,17H2,1H3 XXOVWLRNSMIVHV-UHFFFAOYSA-N 50253794 CHEMBL461432::Ethyl 5-amino-3-(3-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 5700 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253794&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25099163 104106237 CHEMBL461432 ZINC26420920 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430615 CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12 InChI=1S/C15H13N3O3S/c1-2-21-15(20)12-10-8-22-13(16)11(10)14(19)18(17-12)9-6-4-3-5-7-9/h3-8H,2,16H2,1H3 HLVGVGCIJRBRQW-UHFFFAOYSA-N 50253793 CHEMBL461431::Ethyl 5-Amino-4-oxo-3-phenyl-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 13600 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253793&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 647821 104106236 CHEMBL461431 ZINC00563211 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430616 CCOC(=O)c1nn(-c2ccc(cc2)C(C)(C)C)c(=O)c2c(N)scc12 InChI=1S/C19H21N3O3S/c1-5-25-18(24)15-13-10-26-16(20)14(13)17(23)22(21-15)12-8-6-11(7-9-12)19(2,3)4/h6-10H,5,20H2,1-4H3 KDRPKYXHGYJOCR-UHFFFAOYSA-N 50253792 CHEMBL443152::ethyl 5-amino-3-(4-tert-butylphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Adenosine receptor A1 Homo sapiens 9750 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253792&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 2727500 104106235 CHEMBL443152 ZINC01043155 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430617 Cc1c(sc(N)c1C(N)=O)C(=O)Nc1ccccc1 InChI=1S/C13H13N3O2S/c1-7-9(11(14)17)12(15)19-10(7)13(18)16-8-5-3-2-4-6-8/h2-6H,15H2,1H3,(H2,14,17)(H,16,18) HUXCUBHSRXMRRQ-UHFFFAOYSA-N 50253324 5-amino-3-methyl-N2-phenylthiophene-2,4-dicarboxamide::CHEMBL494292 Adenosine receptor A1 Homo sapiens 3950 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253324&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 737136 104105872 CHEMBL494292 ZINC84918762 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430618 Cc1sc(N)c(C(=O)c2cccs2)c1C InChI=1S/C11H11NOS2/c1-6-7(2)15-11(12)9(6)10(13)8-4-3-5-14-8/h3-5H,12H2,1-2H3 ANFQRMBWHBVDIF-UHFFFAOYSA-N 50253751 (2-amino-4,5-dimethylthiophen-3-yl)(thiophen-2-yl)methanone::CHEMBL503024 Adenosine receptor A1 Homo sapiens 11200 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253751&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 700447 104106205 CHEMBL503024 ZINC00080292 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430619 COc1ccc(cc1)-n1nc(C(O)=O)c2csc(N)c2c1=O InChI=1S/C14H11N3O4S/c1-21-8-4-2-7(3-5-8)17-13(18)10-9(6-22-12(10)15)11(16-17)14(19)20/h2-6H,15H2,1H3,(H,19,20) URXQISGQPOMOOS-UHFFFAOYSA-N 50253870 5-Amino-3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylic acid::CHEMBL525953 Adenosine receptor A1 Homo sapiens 2600 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253870&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9839953 104106300 CHEMBL525953 ZINC33981379 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50430620 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3 KKDKAWKYGCUOGR-UHFFFAOYSA-N 50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723 Adenosine receptor A1 Homo sapiens 13600 ChEMBL 10.1021/jm800557d 10.7270/Q2930T0C 18771255 Ferguson, GN; Valant, C; Horne, J; Figler, H; Flynn, BL; Linden, J; Chalmers, DK; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122028 103980705 CHEMBL59532 ZINC02379515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441325 CCN(CC)CCOc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H27N5O4/c1-6-25(7-2)10-11-29-15-12-13(8-9-14(15)28-5)17-21-16-18(22-17)23(3)20(27)24(4)19(16)26/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22) HPJQLBQUFRMPSW-UHFFFAOYSA-N 50279423 8-[3-(2-Diethylaminoethoxy)-4-methoxyphenyl]-1,3-dimethylxanthine::CHEMBL519726 Adenosine receptor A1 Homo sapiens 43000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279423&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631506 104121348 CHEMBL519726 ZINC42888590 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441326 COc1ccc(cc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C18H23N5O4/c1-21(2)8-9-27-13-10-11(6-7-12(13)26-5)15-19-14-16(20-15)22(3)18(25)23(4)17(14)24/h6-7,10H,8-9H2,1-5H3,(H,19,20) LJHZZECIHXGADH-UHFFFAOYSA-N 50279422 8-[3-(2-Dimethylaminoethoxy)-4-methoxyphenyl]-1,3-dimethylxanthine::CHEMBL486720 Adenosine receptor A1 Homo sapiens 13500 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279422&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631719 104121347 CHEMBL486720 ZINC45497910 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441327 COc1cc(ccc1OCCN1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H25N5O4/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-6-7-14(15(12-13)28-3)29-11-10-25-8-4-5-9-25/h6-7,12H,4-5,8-11H2,1-3H3,(H,21,22) VUNGHUKQQDSODO-UHFFFAOYSA-N 50279421 1,3-Dimethyl-8-[3-methoxy-4-(2-pyrrolidin-4-ylethoxy)-phenyl]xanthine::CHEMBL486719 Adenosine receptor A1 Homo sapiens 11200 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279421&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631400 104121346 CHEMBL486719 ZINC40421498 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441328 COc1cc(ccc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H25N5O5/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-4-5-14(15(12-13)28-3)30-11-8-25-6-9-29-10-7-25/h4-5,12H,6-11H2,1-3H3,(H,21,22) SLGNGDDFVGQQPR-UHFFFAOYSA-N 50279420 1,3-Dimethyl-8-[3-methoxy-4-(2-morpholin-4-ylethoxy)-phenylxanthine::CHEMBL520212 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279420&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631715 104121345 CHEMBL520212 ZINC42878887 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441329 COc1cc(ccc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H27N5O4/c1-24-19-17(20(27)25(2)21(24)28)22-18(23-19)14-7-8-15(16(13-14)29-3)30-12-11-26-9-5-4-6-10-26/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23) UDUDPDCSVFAFFL-UHFFFAOYSA-N 50279732 1,3-Dimethyl-8-[3-methoxy-4-(2-piperidin-1-ylethoxy)-phenyl]xanthine::CHEMBL472883 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279732&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631614 104121449 CHEMBL472883 ZINC40900878 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441330 CCN(CC)CCOc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H27N5O4/c1-6-25(7-2)10-11-29-14-9-8-13(12-15(14)28-5)17-21-16-18(22-17)23(3)20(27)24(4)19(16)26/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22) BLIXJOMEXWRBCB-UHFFFAOYSA-N 50279731 8-[4-(2-Diethylaminoethoxy)-3-methoxyphenyl]-1,3-dimethylxanthine::CHEMBL516188 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279731&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631399 104121448 CHEMBL516188 ZINC40407992 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441331 COc1cc(ccc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C18H23N5O4/c1-21(2)8-9-27-12-7-6-11(10-13(12)26-5)15-19-14-16(20-15)22(3)18(25)23(4)17(14)24/h6-7,10H,8-9H2,1-5H3,(H,19,20) SVMXCMXOKKBEET-UHFFFAOYSA-N 50279730 8-[4-(2-Dimethylaminoethoxy)-3-methoxyphenyl]-1,3-dimethylxanthine::CHEMBL472684 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279730&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631613 104121447 CHEMBL472684 ZINC40914066 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441332 COc1ccc(cc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H27N5O4/c1-24-19-17(20(27)25(2)21(24)28)22-18(23-19)14-7-8-15(29-3)16(13-14)30-12-11-26-9-5-4-6-10-26/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23) NTDYXYFTOQZJNU-UHFFFAOYSA-N 50279424 1,3-Dimethyl-8-[4-methoxy-3-(2-piperidin-1-ylethoxy)-phenyl]xanthine::CHEMBL485698 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279424&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631813 104121349 CHEMBL485698 ZINC40414401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441333 COc1ccc(cc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H25N5O5/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-4-5-14(28-3)15(12-13)30-11-8-25-6-9-29-10-7-25/h4-5,12H,6-11H2,1-3H3,(H,21,22) OIJSJSOMTZSQNV-UHFFFAOYSA-N 50279444 1,3-Dimethyl-8-[4-methoxy-3-(2-morpholin-4-ylethoxy)-phenylxanthine::CHEMBL520031 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279444&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631507 104121358 CHEMBL520031 ZINC40939143 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441334 CN(C)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C17H21N5O3/c1-20(2)8-9-25-12-7-5-6-11(10-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-7,10H,8-9H2,1-4H3,(H,18,19) FVYQSAAJAMSFPH-UHFFFAOYSA-N 50279445 8-[3-(2-Dimethylaminoethoxy)phenyl]-1,3-dimethylxanthine::CHEMBL488151 Adenosine receptor A1 Homo sapiens 800 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279445&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631609 104121359 CHEMBL488151 ZINC45496111 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441335 CCN(CC)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H25N5O3/c1-5-24(6-2)10-11-27-14-9-7-8-13(12-14)16-20-15-17(21-16)22(3)19(26)23(4)18(15)25/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21) JLZWWVVRMVULIU-UHFFFAOYSA-N 50279446 8-[3-(2-Diethylaminoethoxy)phenyl]-1,3-dimethylxanthine::CHEMBL488152 Adenosine receptor A1 Homo sapiens 14000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279446&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631818 104121360 CHEMBL488152 ZINC45496113 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441336 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCCC2)c1 InChI=1S/C20H25N5O3/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)14-7-6-8-15(13-14)28-12-11-25-9-4-3-5-10-25/h6-8,13H,3-5,9-12H2,1-2H3,(H,21,22) ZVUMUCRNXOYIMA-UHFFFAOYSA-N 50279447 1,3-Dimethyl-8-[3-(2-piperidin-4-ylethoxy)phenyl]xanthine::CHEMBL488366 Adenosine receptor A1 Homo sapiens 2100 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279447&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631819 104121361 CHEMBL488366 ZINC45495942 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441337 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCOCC2)c1 InChI=1S/C19H23N5O4/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-4-3-5-14(12-13)28-11-8-24-6-9-27-10-7-24/h3-5,12H,6-11H2,1-2H3,(H,20,21) DKGCSVKNSVZVMO-UHFFFAOYSA-N 50279448 1,3-Dimethyl-8-[3-(2-morpholin-4-ylethoxy)-phenyl]xanthine::CHEMBL488367 Adenosine receptor A1 Homo sapiens 2100 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279448&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631610 104121362 CHEMBL488367 ZINC40424054 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441338 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCC2)c1 InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-6-5-7-14(12-13)27-11-10-24-8-3-4-9-24/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,21) XQDUFOCVAIJNAY-UHFFFAOYSA-N 50279464 1,3-Dimethyl-8-[3-(2-pyrrolidin-1-ylethoxy)-phenyl]xanthine::CHEMBL486316 Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279464&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42631924 104121369 CHEMBL486316 ZINC45484627 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441339 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 95 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50441340 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A1 Homo sapiens 540 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443904 Nc1nc(-c2ccco2)c2nnn(Cc3ccc4nn[nH]c4c3)c2n1 InChI=1S/C15H11N9O/c16-15-17-12(11-2-1-5-25-11)13-14(18-15)24(23-21-13)7-8-3-4-9-10(6-8)20-22-19-9/h1-6H,7H2,(H2,16,17,18)(H,19,20,22) JLPAUIGRIPHUJC-UHFFFAOYSA-N 50254400 3-(1H-Benzotriazol-5-ylmethyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL442670 Adenosine receptor A1 Homo sapiens 291 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254400&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874538 104106630 CHEMBL442670 ZINC40828500 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443905 Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ncc4c3)c2n1 InChI=1S/C16H12N8O/c17-16-19-13(12-2-1-5-25-12)14-15(20-16)24(23-22-14)8-9-3-4-11-10(6-9)7-18-21-11/h1-7H,8H2,(H,18,21)(H2,17,19,20) YDOSDBSTLFYMFG-UHFFFAOYSA-N 50254399 7-(2-Furyl)-3-(5-indazolylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL512812 Adenosine receptor A1 Homo sapiens 190 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254399&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874662 104106629 CHEMBL512812 ZINC40875311 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443906 Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1 InChI=1S/C17H13N7O/c18-17-20-14(13-2-1-7-25-13)15-16(21-17)24(23-22-15)9-10-3-4-12-11(8-10)5-6-19-12/h1-8,19H,9H2,(H2,18,20,21) XLVPNYUXEMZIGX-UHFFFAOYSA-N 50254398 7-(2-Furyl)-3-(5-indolylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL468256 Adenosine receptor A1 Homo sapiens 27 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254398&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874675 104106628 CHEMBL468256 ZINC40875052 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443907 CC(=O)Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C17H15N7O2/c1-10(25)19-12-6-4-11(5-7-12)9-24-16-15(22-23-24)14(20-17(18)21-16)13-3-2-8-26-13/h2-8H,9H2,1H3,(H,19,25)(H2,18,20,21) VLWKYZXFURDCFE-UHFFFAOYSA-N 50254357 CHEMBL511413::N-(4-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)phenyl)acetamide Adenosine receptor A1 Homo sapiens 2531 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254357&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874764 104106598 CHEMBL511413 ZINC40876781 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443908 CNc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C16H15N7O/c1-18-11-6-4-10(5-7-11)9-23-15-14(21-22-23)13(19-16(17)20-15)12-3-2-8-24-12/h2-8,18H,9H2,1H3,(H2,17,19,20) TZOOGRJBPCSUNY-UHFFFAOYSA-N 50254356 7-(2-Furyl)-3-(4-(N-methylamino)benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL510134 Adenosine receptor A1 Homo sapiens 40 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254356&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874681 104106597 CHEMBL510134 ZINC40380043 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443909 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1 InChI=1S/C15H13N7O2/c16-9-4-3-8(6-10(9)23)7-22-14-13(20-21-22)12(18-15(17)19-14)11-2-1-5-24-11/h1-6,23H,7,16H2,(H2,17,18,19) QTWZRFYFVZATOS-UHFFFAOYSA-N 50254355 3-(4-Amino-3-hydroxybenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL516770 Adenosine receptor A1 Homo sapiens 249 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254355&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874641 104106596 CHEMBL516770 ZINC40863349 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443910 CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N InChI=1S/C18H19N7O/c1-10(2)12-8-11(5-6-13(12)19)9-25-17-16(23-24-25)15(21-18(20)22-17)14-4-3-7-26-14/h3-8,10H,9,19H2,1-2H3,(H2,20,21,22) OXXOYGRTPFHQAA-UHFFFAOYSA-N 50254354 3-(4-Amino-3-isopropylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL459322 Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254354&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874613 104106595 CHEMBL459322 ZINC40863018 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443911 CCc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N InChI=1S/C17H17N7O/c1-2-11-8-10(5-6-12(11)18)9-24-16-15(22-23-24)14(20-17(19)21-16)13-4-3-7-25-13/h3-8H,2,9,18H2,1H3,(H2,19,20,21) MPVLIBBHCAVTJX-UHFFFAOYSA-N 50254353 3-(4-Amino-3-ethylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL518364 Adenosine receptor A1 Homo sapiens 26 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254353&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874756 104106594 CHEMBL518364 ZINC40392854 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443912 Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20) HQSBCDPYXDGTCL-UHFFFAOYSA-N 50254013 3-(4-Amino-3-methylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL447664 Adenosine receptor A1 Homo sapiens 68 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254013&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9XT 5OLH 21874557 104106404 CHEMBL447664 ZINC40863182 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443913 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1 InChI=1S/C15H12FN7O/c16-9-6-8(3-4-10(9)17)7-23-14-13(21-22-23)12(19-15(18)20-14)11-2-1-5-24-11/h1-6H,7,17H2,(H2,18,19,20) HQQSMDYDRILQNC-UHFFFAOYSA-N 50254012 3-(4-Amino-3-fluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517886 Adenosine receptor A1 Homo sapiens 120 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254012&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874661 104106403 CHEMBL517886 ZINC40864161 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443914 Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c(F)c1 InChI=1S/C15H12FN7O/c16-10-6-9(17)4-3-8(10)7-23-14-13(21-22-23)12(19-15(18)20-14)11-2-1-5-24-11/h1-6H,7,17H2,(H2,18,19,20) YSVWVOXTRYQTHL-UHFFFAOYSA-N 50254011 3-(4-Amino-2-fluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL516800 Adenosine receptor A1 Homo sapiens 190 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254011&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874571 104106402 CHEMBL516800 ZINC40860687 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443915 NCc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C16H15N7O/c17-8-10-3-5-11(6-4-10)9-23-15-14(21-22-23)13(19-16(18)20-15)12-2-1-7-24-12/h1-7H,8-9,17H2,(H2,18,19,20) OCXRYSQGQKZANZ-UHFFFAOYSA-N 50254010 3-(4-Aminomethylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL460976 Adenosine receptor A1 Homo sapiens 4909 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254010&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874722 104106401 CHEMBL460976 ZINC40860685 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443916 Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C15H13N7O/c16-10-5-3-9(4-6-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-2-1-7-23-11/h1-7H,8,16H2,(H2,17,18,19) PLFGEAYNLHZLDP-UHFFFAOYSA-N 50254009 3-(4-Aminobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL460975 Adenosine receptor A1 Homo sapiens 190 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254009&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874686 104106400 CHEMBL460975 ZINC40379794 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443917 Nc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C15H13N7O/c16-10-4-1-3-9(7-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-5-2-6-23-11/h1-7H,8,16H2,(H2,17,18,19) YHYOCBNJVOUOHL-UHFFFAOYSA-N 50254008 3-(3-Aminobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461008 Adenosine receptor A1 Homo sapiens 131 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254008&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9901171 104106399 CHEMBL461008 ZINC34019480 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443918 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1 InChI=1S/C15H13N7O/c16-10-5-2-1-4-9(10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-6-3-7-23-11/h1-7H,8,16H2,(H2,17,18,19) PEIDZPBLLQLXTN-UHFFFAOYSA-N 50253995 3-(2-Aminobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL516483 Adenosine receptor A1 Homo sapiens 63 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253995&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9857735 104106388 CHEMBL516483 ZINC40393158 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443919 Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1 InChI=1S/C13H10N6OS/c14-13-15-10(9-2-1-4-20-9)11-12(16-13)19(18-17-11)6-8-3-5-21-7-8/h1-5,7H,6H2,(H2,14,15,16) CPCWPQDPUNDLNA-UHFFFAOYSA-N 50253994 7-(2-Furyl)-3-(3-thienylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL506101 Adenosine receptor A1 Homo sapiens 78 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253994&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9857422 104106387 CHEMBL506101 ZINC40845055 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443920 Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1 InChI=1S/C13H10N6OS/c14-13-15-10(9-4-1-5-20-9)11-12(16-13)19(18-17-11)7-8-3-2-6-21-8/h1-6H,7H2,(H2,14,15,16) URQCXSCOCFANSO-UHFFFAOYSA-N 50253993 7-(2-Furyl)-3-(2-thienylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL460799 Adenosine receptor A1 Homo sapiens 117 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253993&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874782 104106386 CHEMBL460799 ZINC40863158 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443921 Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1 InChI=1S/C13H10N6O2/c14-13-15-10(9-4-2-6-21-9)11-12(16-13)19(18-17-11)7-8-3-1-5-20-8/h1-6H,7H2,(H2,14,15,16) OVDWDWNLTFDKGD-UHFFFAOYSA-N 50253992 7-(2-Furyl)-3-(2-furylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461650 Adenosine receptor A1 Homo sapiens 77 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253992&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874668 104106385 CHEMBL461650 ZINC40393217 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443922 Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C14H10FN7S/c15-9-4-2-1-3-8(9)6-22-13-12(20-21-22)11(18-14(16)19-13)10-5-17-7-23-10/h1-5,7H,6H2,(H2,16,18,19) VVFOTYRTTIHHKA-UHFFFAOYSA-N 50254267 3-(2-Fluorobenzyl)-7-(5-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467867 Adenosine receptor A1 Homo sapiens 894 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254267&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9858577 104106538 CHEMBL467867 ZINC33993507 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443923 Nc1nc(-c2c[nH]nn2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C13H10FN9/c14-8-4-2-1-3-7(8)6-23-12-11(20-22-23)10(17-13(15)18-12)9-5-16-21-19-9/h1-5H,6H2,(H2,15,17,18)(H,16,19,21) WCWZDKZUOSZJPV-UHFFFAOYSA-N 50254266 3-(2-Fluorobenzyl)-7-(5-triazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467655 Adenosine receptor A1 Homo sapiens 2965 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254266&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874639 104106537 CHEMBL467655 ZINC40877183 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443924 Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C15H11FN6S/c16-10-5-2-1-4-9(10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-6-3-7-23-11/h1-7H,8H2,(H2,17,18,19) VFOPMEYYKVBQQE-UHFFFAOYSA-N 50254265 3-(2-Fluorobenzyl)-7-(2-thienyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL511405 Adenosine receptor A1 Homo sapiens 154 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254265&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9880392 104106536 CHEMBL511405 ZINC34005381 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443925 Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C14H10FN7O/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19) YKXAXNRPKPCUCH-UHFFFAOYSA-N 50254264 3-(2-Fluorobenzyl)-7-(2-oxazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::3-(2-fluorobenzyl)-7-(oxazol-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine::CHEMBL468701 Adenosine receptor A1 Homo sapiens 599 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254264&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25188209 104106535 CHEMBL468701 ZINC40401945 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443926 Cc1cnc(s1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12 InChI=1S/C15H12FN7S/c1-8-6-18-14(24-8)12-11-13(20-15(17)19-12)23(22-21-11)7-9-4-2-3-5-10(9)16/h2-6H,7H2,1H3,(H2,17,19,20) QAYSCRQTQREBQP-UHFFFAOYSA-N 50254263 3-(2-Fluorobenzyl)-7-(5-methyl-2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL449469 Adenosine receptor A1 Homo sapiens 86 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254263&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9902562 104106534 CHEMBL449469 ZINC34021159 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443927 Cc1csc(n1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12 InChI=1S/C15H12FN7S/c1-8-7-24-14(18-8)12-11-13(20-15(17)19-12)23(22-21-11)6-9-4-2-3-5-10(9)16/h2-5,7H,6H2,1H3,(H2,17,19,20) UQZBEXRWKGGPGI-UHFFFAOYSA-N 50254262 3-(2-Fluorobenzyl)-7-(4-methyl-2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL505787 Adenosine receptor A1 Homo sapiens 203 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254262&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9902563 104106533 CHEMBL505787 ZINC34021160 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443928 Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C14H10FN7S/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19) IZQQVCLSEFCBFN-UHFFFAOYSA-N 50254002 3-(2-Fluorobenzyl)-7-(2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL508558 Adenosine receptor A1 Homo sapiens 553 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254002&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9858578 104106393 CHEMBL508558 ZINC33993508 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443929 Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C14H11FN8/c15-9-4-2-1-3-8(9)7-23-13-12(21-22-23)11(18-14(16)19-13)10-5-6-17-20-10/h1-6H,7H2,(H,17,20)(H2,16,18,19) GOWVUTAYJUJMJP-UHFFFAOYSA-N 50254001 3-(2-Fluorobenzyl)-7-(1H-pyrazol-3-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461858 Adenosine receptor A1 Homo sapiens 1665 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254001&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9836304 104106392 CHEMBL461858 ZINC33977787 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443930 Cc1ccc(o1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12 InChI=1S/C16H13FN6O/c1-9-6-7-12(24-9)13-14-15(20-16(18)19-13)23(22-21-14)8-10-4-2-3-5-11(10)17/h2-7H,8H2,1H3,(H2,18,19,20) ZTAHTOOYAQNJRV-UHFFFAOYSA-N 50254000 3-(2-Fluorobenzyl)-7-(5-methyl-2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461857 Adenosine receptor A1 Homo sapiens 19 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254000&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874647 104106391 CHEMBL461857 ZINC40872804 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443931 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C15H11FN6O/c16-10-5-2-1-4-9(10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-6-3-7-23-11/h1-7H,8H2,(H2,17,18,19) BNLXLVWITDZVIM-UHFFFAOYSA-N 50253999 3-(2-Fluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517278 Adenosine receptor A1 Homo sapiens 105 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253999&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9901260 104106390 CHEMBL517278 ZINC34019585 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443932 Nc1nc(-c2ccco2)c2[nH]nnc2n1 InChI=1S/C8H6N6O/c9-8-10-5(4-2-1-3-15-4)6-7(11-8)13-14-12-6/h1-3H,(H3,9,10,11,12,13,14) WNLHTRPMOARHIH-UHFFFAOYSA-N 50253998 7-(2-Furyl)-1H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL459312 Adenosine receptor A1 Homo sapiens 3624 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253998&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9834242 104106389 CHEMBL459312 ZINC33975418 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443933 Nc1nc(-c2ccco2)c2cc[nH]c2n1 InChI=1S/C10H8N4O/c11-10-13-8(7-2-1-5-15-7)6-3-4-12-9(6)14-10/h1-5H,(H3,11,12,13,14) YOPVCNSOKMOXST-UHFFFAOYSA-N 50239028 4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine::CHEMBL406499 Adenosine receptor A1 Homo sapiens 2765 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239028&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21976428 104056499 CHEMBL406499 ZINC00003636 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443934 Nc1nc(-c2ccco2)c2[nH]cnc2n1 InChI=1S/C9H7N5O/c10-9-13-6(5-2-1-3-15-5)7-8(14-9)12-4-11-7/h1-4H,(H3,10,11,12,13,14) JZSMPSCWNAYWOI-UHFFFAOYSA-N 50239041 6-(furan-2-yl)-9H-purin-2-amine::CHEMBL404447 Adenosine receptor A1 Homo sapiens 4951 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239041&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9834240 104056501 CHEMBL404447 ZINC29046264 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443935 Nc1nc(-c2ccco2)c2c[nH]nc2n1 InChI=1S/C9H7N5O/c10-9-12-7(6-2-1-3-15-6)5-4-11-14-8(5)13-9/h1-4H,(H3,10,11,12,13,14) YRICNFHNUJTOMF-UHFFFAOYSA-N 50239026 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine::CHEMBL260557 Adenosine receptor A1 Homo sapiens 647 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239026&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22015500 104056498 CHEMBL260557 ZINC29047358 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439693 Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21 InChI=1S/C24H18N4O/c1-16-11-13-18(14-12-16)28-15-20-19-9-5-6-10-21(19)25-23(22(20)27-28)26-24(29)17-7-3-2-4-8-17/h2-15H,1H3,(H,25,26,29) ZARLKOOVPRBBPD-UHFFFAOYSA-N 50218917 CHEMBL242632::N-(2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)benzamide Adenosine receptor A1 Homo sapiens 629 ChEMBL 10.1016/j.bmc.2008.10.018 10.7270/Q21N810X 18996701 Colotta, V; Capelli, F; Lenzi, O; Catarzi, D; Varano, F; Poli, D; Vincenzi, F; Varani, K; Borea, PA; Dal Ben, D; Volpini, R; Cristalli, G; Filacchioni, G Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218917&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427586 104092376 CHEMBL242632 ZINC28710897 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439694 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21 InChI=1S/C24H18N4O/c1-16-8-7-11-18(14-16)28-15-20-19-12-5-6-13-21(19)25-23(22(20)27-28)26-24(29)17-9-3-2-4-10-17/h2-15H,1H3,(H,25,26,29) OJHDOIIUJLKKAH-UHFFFAOYSA-N 50218919 CHEMBL242424::N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)benzamide Adenosine receptor A1 Homo sapiens 57 ChEMBL 10.1016/j.bmc.2008.10.018 10.7270/Q21N810X 18996701 Colotta, V; Capelli, F; Lenzi, O; Catarzi, D; Varano, F; Poli, D; Vincenzi, F; Varani, K; Borea, PA; Dal Ben, D; Volpini, R; Cristalli, G; Filacchioni, G Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218919&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44427585 104092378 CHEMBL242424 ZINC28710896 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443994 Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1 InChI=1S/C13H10N8O/c14-13-17-10(9-2-1-5-22-9)11-12(18-13)21(20-19-11)7-8-6-15-3-4-16-8/h1-6H,7H2,(H2,14,17,18) FRFPRBCBRLNPQZ-UHFFFAOYSA-N 50253991 7-(2-Furyl)-3-(2-pyrazinylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517277 Adenosine receptor A1 Homo sapiens 1166 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253991&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874634 104106384 CHEMBL517277 ZINC40873410 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443995 Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1 InChI=1S/C14H11N7O/c15-14-17-11(10-4-2-6-22-10)12-13(18-14)21(20-19-12)8-9-3-1-5-16-7-9/h1-7H,8H2,(H2,15,17,18) QFWCQCHUXCNVBH-UHFFFAOYSA-N 50254352 7-(2-Furyl)-3-(3-pyridylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL449596 Adenosine receptor A1 Homo sapiens 931 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254352&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874687 104106593 CHEMBL449596 ZINC40379816 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443996 Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1 InChI=1S/C14H11N7O/c15-14-17-11(10-5-3-7-22-10)12-13(18-14)21(20-19-12)8-9-4-1-2-6-16-9/h1-7H,8H2,(H2,15,17,18) CYASBWJYIBROFE-UHFFFAOYSA-N 50254351 7-(2-Furyl)-3-(2-pyridylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL462501 Adenosine receptor A1 Homo sapiens 1117 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254351&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9857266 104106592 CHEMBL462501 ZINC40866854 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443997 CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C20H21N7O2/c1-12(2)26(3)19(28)14-7-4-6-13(10-14)11-27-18-17(24-25-27)16(22-20(21)23-18)15-8-5-9-29-15/h4-10,12H,11H2,1-3H3,(H2,21,22,23) AMKCCWCEGZXQCR-UHFFFAOYSA-N 50254350 3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)-N-isopropyl-N-methylbenzamide::CHEMBL460805 Adenosine receptor A1 Homo sapiens 1133 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254350&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874520 104106591 CHEMBL460805 ZINC40393412 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443998 CC(C)NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C19H19N7O2/c1-11(2)21-18(27)13-6-3-5-12(9-13)10-26-17-16(24-25-26)15(22-19(20)23-17)14-7-4-8-28-14/h3-9,11H,10H2,1-2H3,(H,21,27)(H2,20,22,23) GZOISEYFUNQIGG-UHFFFAOYSA-N 50254349 3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)-N-isopropylbenzamide::CHEMBL460596 Adenosine receptor A1 Homo sapiens 733 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254349&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874602 104106590 CHEMBL460596 ZINC40865680 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443999 NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C16H13N7O2/c17-14(24)10-4-1-3-9(7-10)8-23-15-13(21-22-23)12(19-16(18)20-15)11-5-2-6-25-11/h1-7H,8H2,(H2,17,24)(H2,18,19,20) OJEKDWVTJNQVRR-UHFFFAOYSA-N 50254348 3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)benzamide::CHEMBL518178 Adenosine receptor A1 Homo sapiens 700 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254348&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874626 104106589 CHEMBL518178 ZINC40393666 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444000 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(O)=O)c2n1 InChI=1S/C16H12N6O3/c17-16-18-12(11-5-2-6-25-11)13-14(19-16)22(21-20-13)8-9-3-1-4-10(7-9)15(23)24/h1-7H,8H2,(H,23,24)(H2,17,18,19) ZAHCXPSOPNDRKR-UHFFFAOYSA-N 50254305 3-((5-amino-7-(furan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl)benzoic acid::3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)benzoic Acid::CHEMBL461656 Adenosine receptor A1 Homo sapiens 4143 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254305&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874755 104106561 CHEMBL461656 ZINC40873834 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444001 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1 InChI=1S/C15H12N6O2/c16-15-17-12(11-5-2-6-23-11)13-14(18-15)21(20-19-13)8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H2,16,17,18) ZTSVWGOTWQCWTQ-UHFFFAOYSA-N 50254304 7-(2-Furyl)-3-(3-hydroxybenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL506511 Adenosine receptor A1 Homo sapiens 314 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254304&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9901196 104106560 CHEMBL506511 ZINC34019512 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444002 COC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C17H14N6O3/c1-25-16(24)11-5-2-4-10(8-11)9-23-15-14(21-22-23)13(19-17(18)20-15)12-6-3-7-26-12/h2-8H,9H2,1H3,(H2,18,19,20) VKZMSCRFHJJXBA-UHFFFAOYSA-N 50254303 CHEMBL517429::Methyl 3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methylbenzoate Adenosine receptor A1 Homo sapiens 105 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254303&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9968253 104106559 CHEMBL517429 ZINC34054493 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444003 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)[N+]([O-])=O)c2n1 InChI=1S/C15H11N7O3/c16-15-17-12(11-2-1-7-25-11)13-14(18-15)21(20-19-13)8-9-3-5-10(6-4-9)22(23)24/h1-7H,8H2,(H2,16,17,18) VDEXMQKDCJCISX-UHFFFAOYSA-N 50254302 7-(2-Furyl)-3-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL505977 Adenosine receptor A1 Homo sapiens 769 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254302&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874692 104106558 CHEMBL505977 ZINC40379276 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444004 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)[N+]([O-])=O)c2n1 InChI=1S/C15H11N7O3/c16-15-17-12(11-5-2-6-25-11)13-14(18-15)21(20-19-13)8-9-3-1-4-10(7-9)22(23)24/h1-7H,8H2,(H2,16,17,18) MOGTYIPADGVXJV-UHFFFAOYSA-N 50254301 7-(2-Furyl)-3-(3-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL508451 Adenosine receptor A1 Homo sapiens 231 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254301&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9967620 104106557 CHEMBL508451 ZINC34053752 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444005 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+]([O-])=O)c2n1 InChI=1S/C15H11N7O3/c16-15-17-12(11-6-3-7-25-11)13-14(18-15)21(20-19-13)8-9-4-1-2-5-10(9)22(23)24/h1-7H,8H2,(H2,16,17,18) RPESVFFSTNXZGQ-UHFFFAOYSA-N 50254007 7-(2-Furyl)-3-(2-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517418 Adenosine receptor A1 Homo sapiens 400 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254007&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9880921 104106398 CHEMBL517418 ZINC34006007 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444006 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)C#N)c2n1 InChI=1S/C16H11N7O/c17-8-10-3-5-11(6-4-10)9-23-15-14(21-22-23)13(19-16(18)20-15)12-2-1-7-24-12/h1-7H,9H2,(H2,18,19,20) WIHSJLOSNYAKOB-UHFFFAOYSA-N 50254006 3-(4-Cyanobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::4-((5-amino-7-(furan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl)benzonitrile::CHEMBL461007 Adenosine receptor A1 Homo sapiens 738 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254006&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10267860 104106397 CHEMBL461007 ZINC38441143 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444007 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C#N)c2n1 InChI=1S/C16H11N7O/c17-8-10-3-1-4-11(7-10)9-23-15-14(21-22-23)13(19-16(18)20-15)12-5-2-6-24-12/h1-7H,9H2,(H2,18,19,20) LMKCBJGIOMTJNM-UHFFFAOYSA-N 50254005 3-(3-Cyanobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517417 Adenosine receptor A1 Homo sapiens 132 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254005&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9901497 104106396 CHEMBL517417 ZINC34019886 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444008 COc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C16H14N6O2/c1-23-11-5-2-4-10(8-11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-6-3-7-24-12/h2-8H,9H2,1H3,(H2,17,18,19) AOXADOPTSUIEGJ-UHFFFAOYSA-N 50254004 7-(2-Furyl)-3-(3-methoxybenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL518497 Adenosine receptor A1 Homo sapiens 77 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254004&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9901700 104106395 CHEMBL518497 ZINC34020136 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444009 COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1 InChI=1S/C16H14N6O2/c1-23-11-6-3-2-5-10(11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-7-4-8-24-12/h2-8H,9H2,1H3,(H2,17,18,19) BBLIPTCQCVIILX-UHFFFAOYSA-N 50254003 7-(2-Furyl)-3-(2-methoxybenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL443665 Adenosine receptor A1 Homo sapiens 319 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254003&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874581 104106394 CHEMBL443665 ZINC40979236 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444010 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(F)(F)F)c2n1 InChI=1S/C16H11F3N6O/c17-16(18,19)10-4-1-3-9(7-10)8-25-14-13(23-24-25)12(21-15(20)22-14)11-5-2-6-26-11/h1-7H,8H2,(H2,20,21,22) UXIUTMGDEVKDJT-UHFFFAOYSA-N 50253990 7-(2-Furyl)-3-(3-trifluoromethylbenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461649 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253990&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10155413 104106383 CHEMBL461649 ZINC34336620 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444011 Cc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C16H14N6O/c1-10-4-2-5-11(8-10)9-22-15-14(20-21-22)13(18-16(17)19-15)12-6-3-7-23-12/h2-8H,9H2,1H3,(H2,17,18,19) WCUNHKUZDFUTSU-UHFFFAOYSA-N 50253989 7-(2-Furyl)-3-(3-methylbenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461651 Adenosine receptor A1 Homo sapiens 45 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253989&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9857698 104106382 CHEMBL461651 ZINC40873412 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444012 Cc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1 InChI=1S/C16H14N6O/c1-10-5-2-3-6-11(10)9-22-15-14(20-21-22)13(18-16(17)19-15)12-7-4-8-23-12/h2-8H,9H2,1H3,(H2,17,18,19) ZEXBXLMNEHIVEJ-UHFFFAOYSA-N 50253988 7-(2-Furyl)-3-(2-methylbenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL516611 Adenosine receptor A1 Homo sapiens 183 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253988&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874786 104106381 CHEMBL516611 ZINC40861745 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444013 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1 InChI=1S/C15H11ClN6O/c16-10-4-1-3-9(7-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-5-2-6-23-11/h1-7H,8H2,(H2,17,18,19) JIVWIVUKEAZKOR-UHFFFAOYSA-N 50253987 3-(3-Chlorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL462488 Adenosine receptor A1 Homo sapiens 76 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253987&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9945226 104106380 CHEMBL462488 ZINC34042110 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444014 Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1 InChI=1S/C15H10F2N6O/c16-9-3-1-4-10(17)8(9)7-23-14-13(21-22-23)12(19-15(18)20-14)11-5-2-6-24-11/h1-6H,7H2,(H2,18,19,20) KORPBNVHOKHHID-UHFFFAOYSA-N 50254300 3-(2,6-Difluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467246 Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254300&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874697 104106556 CHEMBL467246 ZINC40891514 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444015 Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1 InChI=1S/C15H10F2N6O/c16-9-3-4-10(17)8(6-9)7-23-14-13(21-22-23)12(19-15(18)20-14)11-2-1-5-24-11/h1-6H,7H2,(H2,18,19,20) HIKPTKYPQANVTC-UHFFFAOYSA-N 50254299 3-(2,5-Difluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467245 Adenosine receptor A1 Homo sapiens 98 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254299&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874721 104106555 CHEMBL467245 ZINC40891513 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444016 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1 InChI=1S/C15H10F2N6O/c16-9-4-3-8(10(17)6-9)7-23-14-13(21-22-23)12(19-15(18)20-14)11-2-1-5-24-11/h1-6H,7H2,(H2,18,19,20) MIHQHTZJUYIODA-UHFFFAOYSA-N 50254298 3-(2,4-Difluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL513661 Adenosine receptor A1 Homo sapiens 118 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254298&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874676 104106554 CHEMBL513661 ZINC40395621 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444017 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1 InChI=1S/C15H10F2N6O/c16-9-4-1-3-8(11(9)17)7-23-14-13(21-22-23)12(19-15(18)20-14)10-5-2-6-24-10/h1-6H,7H2,(H2,18,19,20) HSZNXQGHVGSJAP-UHFFFAOYSA-N 50254297 3-(2,3-Difluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467244 Adenosine receptor A1 Homo sapiens 110 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254297&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874603 104106553 CHEMBL467244 ZINC40891512 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444018 Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1 InChI=1S/C15H18N6O/c16-15-17-12(11-7-4-8-22-11)13-14(18-15)21(20-19-13)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,16,17,18) WFNUCTUSPKUZKF-UHFFFAOYSA-N 50254296 3-Cyclohexylmethyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467035 Adenosine receptor A1 Homo sapiens 230 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254296&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874771 104106552 CHEMBL467035 ZINC40401759 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50444019 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1 InChI=1S/C15H12N6O/c16-15-17-12(11-7-4-8-22-11)13-14(18-15)21(20-19-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,17,18) OSSDIBDBSUPBAU-UHFFFAOYSA-N 50254295 3-Benzyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL507426 Adenosine receptor A1 Homo sapiens 83 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254295&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874685 104106551 CHEMBL507426 ZINC40980668 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50436680 CCCn1c(=O)n(C)c2c(O)c([nH]c2c1=O)-c1ccc(cc1)S(C)(=O)=O InChI=1S/C17H19N3O5S/c1-4-9-20-16(22)13-14(19(2)17(20)23)15(21)12(18-13)10-5-7-11(8-6-10)26(3,24)25/h5-8,18,21H,4,9H2,1-3H3 KUPQOGCWMSZCTA-UHFFFAOYSA-N 50273957 7-hydroxy-1-methyl-6-(4-(methylsulfonyl)phenyl)-3-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457015 Adenosine receptor A1 Homo sapiens 240 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273957&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44588517 104117914 CHEMBL457015 ZINC40846614 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50436681 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(C)(=O)=O InChI=1S/C19H23N3O5S/c1-4-10-21-16-15(18(24)22(11-5-2)19(21)25)20-14(17(16)23)12-6-8-13(9-7-12)28(3,26)27/h6-9,20,23H,4-5,10-11H2,1-3H3 SIHIKPJYUGIIGL-UHFFFAOYSA-N 50273956 7-hydroxy-6-(4-(methylsulfonyl)phenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL507754 Adenosine receptor A1 Homo sapiens 63 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273956&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44588516 104117913 CHEMBL507754 ZINC40845408 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50436682 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 InChI=1S/C18H21N3O3/c1-3-10-20-15-14(17(23)21(11-4-2)18(20)24)19-13(16(15)22)12-8-6-5-7-9-12/h5-9,19,22H,3-4,10-11H2,1-2H3 WMMQZUWLDBUPNK-UHFFFAOYSA-N 50273839 7-hydroxy-6-phenyl-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL516154 Adenosine receptor A1 Homo sapiens 83 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273839&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44588395 104117832 CHEMBL516154 ZINC40847649 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50436683 CCCn1c2cc(-c3ccccc3)n(O)c2c(=O)n(CCC)c1=O InChI=1S/C18H21N3O3/c1-3-10-19-15-12-14(13-8-6-5-7-9-13)21(24)16(15)17(22)20(11-4-2)18(19)23/h5-9,12,24H,3-4,10-11H2,1-2H3 NTJBOGQCZMKEIC-UHFFFAOYSA-N 50273838 5-hydroxy-6-phenyl-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457441 Adenosine receptor A1 Homo sapiens 25 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273838&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44588394 104117831 CHEMBL457441 ZINC40847647 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50436684 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 InChI=1S/C18H21N3O2/c1-3-10-20-15-12-14(13-8-6-5-7-9-13)19-16(15)17(22)21(11-4-2)18(20)23/h5-9,12,19H,3-4,10-11H2,1-2H3 UBJAFKSHHKGNMT-UHFFFAOYSA-N 50041584 6-Phenyl-1,3-dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione::6-phenyl-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL289413 Adenosine receptor A1 Homo sapiens 34 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041584&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9995603 103973283 CHEMBL289413 ZINC12405594 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50436688 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 InChI=1S/C26H27BrN4O5/c1-3-13-30-23-22(25(34)31(14-4-2)26(30)35)29-21(24(23)33)16-5-11-19(12-6-16)36-15-20(32)28-18-9-7-17(27)8-10-18/h5-12,29,33H,3-4,13-15H2,1-2H3,(H,28,32) IDZLUCZVCCNUTR-UHFFFAOYSA-N 50273311 CHEMBL456125::N-(4-bromophenyl)-2-(4-(7-hydroxy-2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 79 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273311&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44587956 104117474 CHEMBL456125 ZINC44352668 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50436690 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3 GOZZQPGHJOJDJZ-UHFFFAOYSA-N 50241444 6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)phenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::6-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl}-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL409514 Adenosine receptor A1 Homo sapiens 43 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241444&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44450983 104098772 CHEMBL409514 ZINC29058129 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50436691 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C31H37N5O5/c1-3-14-35-28-27(30(39)36(15-4-2)31(35)40)32-26(29(28)38)23-10-12-24(13-11-23)41-21-25(37)34-18-16-33(17-19-34)20-22-8-6-5-7-9-22/h5-13,32,38H,3-4,14-21H2,1-2H3 REAPVGFCEFRXCU-UHFFFAOYSA-N 50273312 6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)phenyl)-7-hydroxy-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL506179 Adenosine receptor A1 Homo sapiens 224 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273312&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44587957 104117475 CHEMBL506179 ZINC42835118 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50436692 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 InChI=1S/C26H27BrN4O4/c1-3-13-30-22-15-21(29-24(22)25(33)31(14-4-2)26(30)34)17-5-11-20(12-6-17)35-16-23(32)28-19-9-7-18(27)8-10-19/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,32) FQGGIJIQRRXFOZ-UHFFFAOYSA-N 50240999 CHEMBL201145::N-(4-bromophenyl)-2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 21 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240999&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11649544 104098542 CHEMBL201145 ZINC28567491 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439696 Cc1ccc(o1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C22H16N4O2/c1-14-11-12-19(28-14)22(27)24-21-20-17(16-9-5-6-10-18(16)23-21)13-26(25-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,24,27) GJTDNSBMXJSRCK-UHFFFAOYSA-N 50245931 5-methyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)furan-2-carboxamide::CHEMBL516966 Adenosine receptor A1 Homo sapiens 500 ChEMBL 10.1016/j.bmc.2008.10.018 10.7270/Q21N810X 18996701 Colotta, V; Capelli, F; Lenzi, O; Catarzi, D; Varano, F; Poli, D; Vincenzi, F; Varani, K; Borea, PA; Dal Ben, D; Volpini, R; Cristalli, G; Filacchioni, G Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245931&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44562753 104101481 CHEMBL516966 ZINC40392168 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50435731 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1 InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26) QMZAMLTVEASZQQ-UHFFFAOYSA-N 21172 CHEMBL251975::N-[2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 1 Adenosine receptor A1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21172&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11956193 49689245 CHEMBL251975 ZINC23360505 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50435734 CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) YBZHQFAVAQZLFB-UHFFFAOYSA-N 50232154 CHEMBL401321::N-(2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide::N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide Adenosine receptor A1 Homo sapiens 9.2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232154&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11380183 104055428 CHEMBL401321 ZINC28966064 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50435735 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1 InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28) QHUIIOCQAIOLJY-UHFFFAOYSA-N 21182 CHEMBL270761::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 34 Adenosine receptor A1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21182&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24768407 49689255 CHEMBL270761 ZINC23360531 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439975 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20) PYBPORWWSICOQW-UHFFFAOYSA-N 50170132 1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL434534 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170132&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11209919 104056596 CHEMBL434534 ZINC11687038 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448687 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O InChI=1S/C23H23N5O3/c1-30-18-8-5-7-17(12-18)28-21-19(13-24-22(26-21)25-16-10-11-16)27(23(28)29)14-15-6-3-4-9-20(15)31-2/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,24,25,26) AQEXTJMLDIXPHI-UHFFFAOYSA-N 50248262 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL475146 Adenosine receptor A1 Homo sapiens 402 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248262&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564881 104102955 CHEMBL475146 ZINC40404197 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448688 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2)c1=O InChI=1S/C22H21N5O2/c1-29-19-10-6-5-7-15(19)14-26-18-13-23-21(24-16-11-12-16)25-20(18)27(22(26)28)17-8-3-2-4-9-17/h2-10,13,16H,11-12,14H2,1H3,(H,23,24,25) QLZMJSSRSSLWQS-UHFFFAOYSA-N 50248264 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-phenyl-7H-purin-8(9H)-one::CHEMBL475147 Adenosine receptor A1 Homo sapiens 447 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248264&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564883 104102957 CHEMBL475147 ZINC40898217 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448689 COc1cc(OC)cc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O InChI=1S/C24H25N5O4/c1-31-18-10-17(11-19(12-18)32-2)29-22-20(13-25-23(27-22)26-16-8-9-16)28(24(29)30)14-15-6-4-5-7-21(15)33-3/h4-7,10-13,16H,8-9,14H2,1-3H3,(H,25,26,27) RRWHVBZACLTBHL-UHFFFAOYSA-N 50248265 2-(cyclopropylamino)-9-(3,5-dimethoxyphenyl)-7-(2-methoxybenzyl)-7H-purin-8(9H)-one::CHEMBL515877 Adenosine receptor A1 Homo sapiens 4640 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248265&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16064568 104102958 CHEMBL515877 ZINC34983632 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448690 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=O InChI=1S/C22H20FN5O2/c1-30-19-8-3-2-5-14(19)13-27-18-12-24-21(25-16-9-10-16)26-20(18)28(22(27)29)17-7-4-6-15(23)11-17/h2-8,11-12,16H,9-10,13H2,1H3,(H,24,25,26) QKENJSZXIDEZOZ-UHFFFAOYSA-N 50248317 2-(cyclopropylamino)-9-(3-fluorophenyl)-7-(2-methoxybenzyl)-7H-purin-8(9H)-one::CHEMBL474747 Adenosine receptor A1 Homo sapiens 599 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248317&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564926 104102998 CHEMBL474747 ZINC40901161 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448691 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(C)c2)c1=O InChI=1S/C23H23N5O2/c1-15-6-5-8-18(12-15)28-21-19(13-24-22(26-21)25-17-10-11-17)27(23(28)29)14-16-7-3-4-9-20(16)30-2/h3-9,12-13,17H,10-11,14H2,1-2H3,(H,24,25,26) NFNDSYDEZWGWHU-UHFFFAOYSA-N 50248318 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-m-tolyl-7H-purin-8(9H)-one::CHEMBL472951 Adenosine receptor A1 Homo sapiens 1847 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248318&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564927 104102999 CHEMBL472951 ZINC40914075 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448692 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(OC(F)(F)F)c2)c1=O InChI=1S/C23H20F3N5O3/c1-33-19-8-3-2-5-14(19)13-30-18-12-27-21(28-15-9-10-15)29-20(18)31(22(30)32)16-6-4-7-17(11-16)34-23(24,25)26/h2-8,11-12,15H,9-10,13H2,1H3,(H,27,28,29) OTFTWNAYKJBJDD-UHFFFAOYSA-N 50248319 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-(trifluoromethoxy)phenyl)-7H-purin-8(9H)-one::CHEMBL515088 Adenosine receptor A1 Homo sapiens 5138 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248319&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16064570 104103000 CHEMBL515088 ZINC34983636 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448693 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(c2)C#N)c1=O InChI=1S/C23H20N6O2/c1-31-20-8-3-2-6-16(20)14-28-19-13-25-22(26-17-9-10-17)27-21(19)29(23(28)30)18-7-4-5-15(11-18)12-24/h2-8,11,13,17H,9-10,14H2,1H3,(H,25,26,27) FJOFZPIYAYYCHF-UHFFFAOYSA-N 50248320 3-(2-(cyclopropylamino)-7-(2-methoxybenzyl)-8-oxo-7H-purin-9(8H)-yl)benzonitrile::CHEMBL472952 Adenosine receptor A1 Homo sapiens 3237 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248320&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564928 104103001 CHEMBL472952 ZINC40914387 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448694 COc1cccc(Cn2c3nc(NC4CC4)ncc3n(Cc3ccccc3OC)c2=O)c1 InChI=1S/C24H25N5O3/c1-31-19-8-5-6-16(12-19)14-29-22-20(13-25-23(27-22)26-18-10-11-18)28(24(29)30)15-17-7-3-4-9-21(17)32-2/h3-9,12-13,18H,10-11,14-15H2,1-2H3,(H,25,26,27) SWMYSPAKTVHYON-UHFFFAOYSA-N 50248378 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-methoxybenzyl)-7H-purin-8(9H)-one::CHEMBL523465 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248378&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564978 104103041 CHEMBL523465 ZINC40423012 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448695 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2)c1=O InChI=1S/C22H21N5O2/c1-29-18-9-5-8-17(12-18)27-20-19(13-23-21(25-20)24-16-10-11-16)26(22(27)28)14-15-6-3-2-4-7-15/h2-9,12-13,16H,10-11,14H2,1H3,(H,23,24,25) OPVBKOIUVGIMIB-UHFFFAOYSA-N 50248379 7-benzyl-2-(cyclopropylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL490723 Adenosine receptor A1 Homo sapiens 564 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248379&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564979 104103042 CHEMBL490723 ZINC40949309 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448696 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2F)c1=O InChI=1S/C22H20FN5O2/c1-30-17-7-4-6-16(11-17)28-20-19(12-24-21(26-20)25-15-9-10-15)27(22(28)29)13-14-5-2-3-8-18(14)23/h2-8,11-12,15H,9-10,13H2,1H3,(H,24,25,26) CFVOANGXCJDVRN-UHFFFAOYSA-N 50248380 2-(cyclopropylamino)-7-(2-fluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL521742 Adenosine receptor A1 Homo sapiens 201 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248380&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564980 104103043 CHEMBL521742 ZINC42878999 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448697 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2Cl)c1=O InChI=1S/C22H20ClN5O2/c1-30-17-7-4-6-16(11-17)28-20-19(12-24-21(26-20)25-15-9-10-15)27(22(28)29)13-14-5-2-3-8-18(14)23/h2-8,11-12,15H,9-10,13H2,1H3,(H,24,25,26) XOAHRUXRHCAEGD-UHFFFAOYSA-N 50248381 7-(2-chlorobenzyl)-2-(cyclopropylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL489120 Adenosine receptor A1 Homo sapiens 2850 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248381&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564981 104103044 CHEMBL489120 ZINC40422974 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448698 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C22H19F2N5O2/c1-31-15-5-2-4-14(10-15)29-20-19(11-25-21(27-20)26-13-8-9-13)28(22(29)30)12-16-17(23)6-3-7-18(16)24/h2-7,10-11,13H,8-9,12H2,1H3,(H,25,26,27) DJEOUFPKQANXEL-UHFFFAOYSA-N 50248433 2-(cyclopropylamino)-7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL489126 Adenosine receptor A1 Homo sapiens 236 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248433&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16064248 104103088 CHEMBL489126 ZINC34983100 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448699 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2OC)c1=O InChI=1S/C23H22FN5O3/c1-31-16-6-3-5-15(11-16)29-21-19(12-25-22(27-21)26-14-9-10-14)28(23(29)30)13-17-18(24)7-4-8-20(17)32-2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,26,27) QCPZDWSHEPNHDV-UHFFFAOYSA-N 50248434 2-(cyclopropylamino)-7-(2-fluoro-6-methoxybenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL489321 Adenosine receptor A1 Homo sapiens 330 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248434&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565032 104103089 CHEMBL489321 ZINC45496368 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448700 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(-c2ccccc2OC)c1=O InChI=1S/C22H21N5O3/c1-29-16-7-5-6-15(12-16)26-20-18(13-23-21(25-20)24-14-10-11-14)27(22(26)28)17-8-3-4-9-19(17)30-2/h3-9,12-14H,10-11H2,1-2H3,(H,23,24,25) UIPGYPFXNHMJOO-UHFFFAOYSA-N 50248477 2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL522628 Adenosine receptor A1 Homo sapiens 1265 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248477&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565076 104103128 CHEMBL522628 ZINC40949905 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448701 CNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1 InChI=1S/C20H17F2N5O2/c1-23-19-24-10-17-18(25-19)27(12-5-3-6-13(9-12)29-2)20(28)26(17)11-14-15(21)7-4-8-16(14)22/h3-10H,11H2,1-2H3,(H,23,24,25) ZGPSYEBKBSDPDD-UHFFFAOYSA-N 50248478 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(methylamino)-7H-purin-8(9H)-one::CHEMBL491317 Adenosine receptor A1 Homo sapiens 1110 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248478&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565077 104103129 CHEMBL491317 ZINC40949907 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448702 CCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1 InChI=1S/C21H19F2N5O2/c1-3-24-20-25-11-18-19(26-20)28(13-6-4-7-14(10-13)30-2)21(29)27(18)12-15-16(22)8-5-9-17(15)23/h4-11H,3,12H2,1-2H3,(H,24,25,26) GBWIHBQNJASNMP-UHFFFAOYSA-N 50248479 7-(2,6-difluorobenzyl)-2-(ethylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491318 Adenosine receptor A1 Homo sapiens 1053 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248479&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565078 104103130 CHEMBL491318 ZINC40423866 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448703 COc1cccc(c1)-n1c2nc(NC(C)C)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C22H21F2N5O2/c1-13(2)26-21-25-11-19-20(27-21)29(14-6-4-7-15(10-14)31-3)22(30)28(19)12-16-17(23)8-5-9-18(16)24/h4-11,13H,12H2,1-3H3,(H,25,26,27) NKRRZFOQPKVEPI-UHFFFAOYSA-N 50248480 7-(2,6-difluorobenzyl)-2-(isopropylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491321 Adenosine receptor A1 Homo sapiens 616 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248480&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565079 104103131 CHEMBL491321 ZINC40950140 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448704 COc1cccc(c1)-n1c2nc(NCc3ccccc3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C26H21F2N5O2/c1-35-19-10-5-9-18(13-19)33-24-23(15-30-25(31-24)29-14-17-7-3-2-4-8-17)32(26(33)34)16-20-21(27)11-6-12-22(20)28/h2-13,15H,14,16H2,1H3,(H,29,30,31) NPLCYSYGICENHP-UHFFFAOYSA-N 50248526 2-(benzylamino)-7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL522462 Adenosine receptor A1 Homo sapiens 2972 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248526&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565133 104103171 CHEMBL522462 ZINC40423859 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448705 COCCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1 InChI=1S/C22H21F2N5O3/c1-31-10-9-25-21-26-12-19-20(27-21)29(14-5-3-6-15(11-14)32-2)22(30)28(19)13-16-17(23)7-4-8-18(16)24/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,26,27) JVPIASFXOWDRKZ-UHFFFAOYSA-N 50248527 7-(2,6-difluorobenzyl)-2-(2-methoxyethylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491310 Adenosine receptor A1 Homo sapiens 1473 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248527&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565134 104103172 CHEMBL491310 ZINC40949357 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448706 COc1cccc(c1)-n1c2nc(NC3CCCC3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C24H23F2N5O2/c1-33-17-9-4-8-16(12-17)31-22-21(13-27-23(29-22)28-15-6-2-3-7-15)30(24(31)32)14-18-19(25)10-5-11-20(18)26/h4-5,8-13,15H,2-3,6-7,14H2,1H3,(H,27,28,29) HKQRSTRNUGFONN-UHFFFAOYSA-N 50248528 2-(cyclopentylamino)-7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491311 Adenosine receptor A1 Homo sapiens 1056 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248528&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565135 104103173 CHEMBL491311 ZINC40949359 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448707 COc1cccc(c1)-n1c2nc(NCC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C23H21F2N5O2/c1-32-16-5-2-4-15(10-16)30-21-20(12-27-22(28-21)26-11-14-8-9-14)29(23(30)31)13-17-18(24)6-3-7-19(17)25/h2-7,10,12,14H,8-9,11,13H2,1H3,(H,26,27,28) FUIDWXLLDCWFBC-UHFFFAOYSA-N 50248529 2-(cyclopropylmethylamino)-7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL523815 Adenosine receptor A1 Homo sapiens 1072 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248529&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565136 104103174 CHEMBL523815 ZINC40951913 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448708 COc1cccc(c1)-n1c2nc(NCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H20F2N6O2/c1-35-18-8-4-7-17(12-18)33-23-22(14-30-24(31-23)29-13-16-6-2-3-11-28-16)32(25(33)34)15-19-20(26)9-5-10-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31) VEKSDEIRAJKHPH-UHFFFAOYSA-N 50248575 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)-7H-purin-8(9H)-one::CHEMBL464928 Adenosine receptor A1 Homo sapiens 1211 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248575&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565183 104103213 CHEMBL464928 ZINC40394979 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448709 COc1cccc(c1)-n1c2nc(NCc3ccncc3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H20F2N6O2/c1-35-18-5-2-4-17(12-18)33-23-22(14-30-24(31-23)29-13-16-8-10-28-11-9-16)32(25(33)34)15-19-20(26)6-3-7-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31) CPCBVGFLWLFBQV-UHFFFAOYSA-N 50248576 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyridin-4-ylmethylamino)-7H-purin-8(9H)-one::CHEMBL465338 Adenosine receptor A1 Homo sapiens 1191 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248576&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44565184 104103214 CHEMBL465338 ZINC40394435 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448710 COc1cccc(c1)-n1c2nc(NCc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H20F2N6O2/c1-35-18-7-2-6-17(11-18)33-23-22(14-30-24(31-23)29-13-16-5-4-10-28-12-16)32(25(33)34)15-19-20(26)8-3-9-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31) PWTFTDKHCOVKRN-UHFFFAOYSA-N 50248577 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)-7H-purin-8(9H)-one::CHEMBL516556 Adenosine receptor A1 Homo sapiens 1298 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248577&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16036826 104103215 CHEMBL516556 ZINC34874664 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448711 COc1cccc(c1)-n1c2nc(NCCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C26H22F2N6O2/c1-36-19-8-4-7-18(14-19)34-24-23(33(26(34)35)16-20-21(27)9-5-10-22(20)28)15-31-25(32-24)30-13-11-17-6-2-3-12-29-17/h2-10,12,14-15H,11,13,16H2,1H3,(H,30,31,32) UPPCVKRCEALPST-UHFFFAOYSA-N 50248578 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-(pyridin-2-yl)ethylamino)-7H-purin-8(9H)-one::CHEMBL465538 Adenosine receptor A1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248578&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16064711 104103216 CHEMBL465538 ZINC34983859 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448712 COc1cccc(c1)-n1c2nc(Nc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C24H18F2N6O2/c1-34-17-7-2-6-16(11-17)32-22-21(13-28-23(30-22)29-15-5-4-10-27-12-15)31(24(32)33)14-18-19(25)8-3-9-20(18)26/h2-13H,14H2,1H3,(H,28,29,30) QDPZITDRBFKRTK-UHFFFAOYSA-N 50247931 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyridin-3-ylamino)-7H-purin-8(9H)-one::CHEMBL491097 Adenosine receptor A1 Homo sapiens 1833 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247931&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564568 104102678 CHEMBL491097 ZINC45505975 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448713 COc1cccc(c1)-n1c2nc(NCCN3CCOCC3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H26F2N6O3/c1-35-18-5-2-4-17(14-18)33-23-22(32(25(33)34)16-19-20(26)6-3-7-21(19)27)15-29-24(30-23)28-8-9-31-10-12-36-13-11-31/h2-7,14-15H,8-13,16H2,1H3,(H,28,29,30) HNYZOGALKPMEFC-UHFFFAOYSA-N 50247932 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-morpholinoethylamino)-7H-purin-8(9H)-one::CHEMBL521785 Adenosine receptor A1 Homo sapiens 8598 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247932&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16064250 104102679 CHEMBL521785 ZINC34983104 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448714 COc1cccc(c1)-n1c2nc(NCCN(C)C)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C23H24F2N6O2/c1-29(2)11-10-26-22-27-13-20-21(28-22)31(15-6-4-7-16(12-15)33-3)23(32)30(20)14-17-18(24)8-5-9-19(17)25/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,28) XCQIPBNUWFIJMO-UHFFFAOYSA-N 50247933 7-(2,6-difluorobenzyl)-2-(2-(dimethylamino)ethylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491285 Adenosine receptor A1 Homo sapiens 10000 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247933&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44564569 104102680 CHEMBL491285 ZINC40952136 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50448715 COc1cccc(c1)-n1c2nc(NCCc3cccs3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H21F2N5O2S/c1-34-17-6-2-5-16(13-17)32-23-22(14-29-24(30-23)28-11-10-18-7-4-12-35-18)31(25(32)33)15-19-20(26)8-3-9-21(19)27/h2-9,12-14H,10-11,15H2,1H3,(H,28,29,30) LYNYVXYEWWSYMQ-UHFFFAOYSA-N 50247934 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-(thiophen-2-yl)ethylamino)-7H-purin-8(9H)-one::CHEMBL522268 Adenosine receptor A1 Homo sapiens 1967 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247934&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44157013 104102681 CHEMBL522268 ZINC42890535 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439976 CC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C18H17N5O3/c1-11-8-21-14-15(20-17(21)19-11)22(10-13-6-4-3-5-7-13)18(26)23(16(14)25)9-12(2)24/h3-8H,9-10H2,1-2H3,(H,19,20) JRBPFIYRAOCGAG-UHFFFAOYSA-N 50254894 1-Benzyl-7-methyl-3-(2-oxo-propyl)-1H,8H-imidazo-[2,1-f]purine-2,4-dione::CHEMBL465949 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254894&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570413 104106992 CHEMBL465949 ZINC40876936 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439977 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1 InChI=1S/C15H13N5O2/c1-9-7-19-11-12(17-14(19)16-9)20(15(22)18-13(11)21)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)(H,18,21,22) SOHDIYAJIQVATR-UHFFFAOYSA-N 50254895 1-Benzyl-7-methyl-1H,3H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL518729 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254895&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570414 104106993 CHEMBL518729 ZINC40395149 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439978 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCO)c(=O)c23)[nH]1 InChI=1S/C17H17N5O3/c1-11-9-21-13-14(19-16(21)18-11)22(10-12-5-3-2-4-6-12)17(25)20(7-8-23)15(13)24/h2-6,9,23H,7-8,10H2,1H3,(H,18,19) QUMHJHHGEFMRTL-UHFFFAOYSA-N 50254896 1-Benzyl-7-methyl-3-(2-hydroxy-ethyl)-1H,8Himidazo[2,1-f]purine-2,4-dione::CHEMBL464076 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254896&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25147618 104106994 CHEMBL464076 ZINC40873572 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439979 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCCO)c(=O)c23)[nH]1 InChI=1S/C18H19N5O3/c1-12-10-22-14-15(20-17(22)19-12)23(11-13-6-3-2-4-7-13)18(26)21(16(14)25)8-5-9-24/h2-4,6-7,10,24H,5,8-9,11H2,1H3,(H,19,20) XTUSDSICDXFRIG-UHFFFAOYSA-N 50254897 1-Benzyl-7-methyl-3-(2-hydroxy-propyl)-1H,8H-imidazo-[2,1-f]purine-2,4-dione::CHEMBL465281 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254897&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570415 104106995 CHEMBL465281 ZINC40876041 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439980 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC=C)c(=O)c23)[nH]1 InChI=1S/C18H17N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h3-8,10H,1,9,11H2,2H3,(H,19,20) ZLQOFPCKCSYVKQ-UHFFFAOYSA-N 50254898 1-Benzyl-7-methyl-3-allyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL464075 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254898&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570416 104106996 CHEMBL464075 ZINC40873355 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439981 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC#C)c(=O)c23)[nH]1 InChI=1S/C18H15N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h1,4-8,10H,9,11H2,2H3,(H,19,20) HZBVRTIFGBGPJJ-UHFFFAOYSA-N 50254932 1-Benzyl-7-methyl-3-prop-2-ynyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL506908 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254932&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570454 104107021 CHEMBL506908 ZINC40977625 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439982 CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C19H19N5O4/c1-3-28-14(25)11-24-17(26)15-16(21-18-20-12(2)9-22(15)18)23(19(24)27)10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,20,21) DRLUVSBLMFMBQU-UHFFFAOYSA-N 50254933 (1-Benzyl-7-methyl-2,4-dioxo-1,2,4,8-tetrahydro-imidazo-[2,1-f]purin-3-yl)-acetic acid ethyl ester::CHEMBL465290 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254933&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570455 104107022 CHEMBL465290 ZINC40876884 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439983 CN(C)CCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C19H22N6O2/c1-13-11-24-15-16(21-18(24)20-13)25(12-14-7-5-4-6-8-14)19(27)23(17(15)26)10-9-22(2)3/h4-8,11H,9-10,12H2,1-3H3,(H,20,21) ZWDJWTWWEXUUCR-UHFFFAOYSA-N 50254934 1-Benzyl-3-(2-dimethylamino-ethyl)-7-methyl-1H,8Himidazo[2,1-f]purine-2,4-dione::CHEMBL464437 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254934&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570456 104107023 CHEMBL464437 ZINC40866968 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439984 CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 InChI=1S/C18H19N5O3/c1-11-8-21-14-15(19-17(21)23(11)12(2)10-24)22(18(26)20-16(14)25)9-13-6-4-3-5-7-13/h3-8,12,24H,9-10H2,1-2H3,(H,20,25,26) CWLRKKMZXCWJEO-UHFFFAOYSA-N 50254935 1-Benzyl-8-(2-hydroxy-1-methyl-ethyl)-7-methyl-1H,8Himidazo[2,1-f]purine-2,4-dione::CHEMBL518703 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254935&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570457 104107024 CHEMBL518703 ZINC40393193 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439985 CCn1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 InChI=1S/C17H17N5O2/c1-3-20-11(2)9-21-13-14(18-16(20)21)22(17(24)19-15(13)23)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,19,23,24) WZJQITZITRNABL-UHFFFAOYSA-N 50254936 1-Benzyl-8-ethyl-7-methyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL464438 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254936&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570458 104107025 CHEMBL464438 ZINC40866970 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439986 CCCn1c(=O)n(Cc2ccccc2)c2nc3n(CC)c(C)cn3c2c1=O InChI=1S/C20H23N5O2/c1-4-11-23-18(26)16-17(21-19-22(5-2)14(3)12-24(16)19)25(20(23)27)13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3 ABHYOLCRTCYDDO-UHFFFAOYSA-N 50254972 1-Benzyl-8-ethyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]-purine-2,4-dione::CHEMBL481383 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254972&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570493 104107050 CHEMBL481383 ZINC40409602 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439987 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)cn3c2c1=O InChI=1S/C19H21N5O2/c1-3-10-22-17(25)15-16(21-18-20-14(4-2)12-23(15)18)24(19(22)26)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21) AQSASUNPGDTELP-UHFFFAOYSA-N 50170141 1-Benzyl-7-ethyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL372026 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170141&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11175566 104056605 CHEMBL372026 ZINC13648060 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439988 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22) ASWLMOCIKJHRAO-UHFFFAOYSA-N 50170139 1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-isopropyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL188269 Adenosine receptor A1 Homo sapiens 460 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170139&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11428535 104056603 CHEMBL188269 ZINC13648062 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439989 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)(C)C InChI=1S/C21H25N5O2/c1-5-11-24-18(27)16-17(23-19-22-15(13-25(16)19)21(2,3)4)26(20(24)28)12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,22,23) HSXKKRPCNBMEOM-UHFFFAOYSA-N 50170135 1-Benzyl-7-tert-butyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-tert-butyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL191421 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170135&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11153187 104056599 CHEMBL191421 ZINC13648065 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439990 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CC1 InChI=1S/C20H21N5O2/c1-2-10-23-18(26)16-17(22-19-21-15(12-24(16)19)14-8-9-14)25(20(23)27)11-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,22) HQJVISVDMXOQSF-UHFFFAOYSA-N 50170140 1-Benzyl-7-cyclopropyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-cyclopropyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL364036 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170140&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11394389 104056604 CHEMBL364036 ZINC13648067 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439991 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CCCCC1 InChI=1S/C23H27N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3,(H,24,25) FSHOAOFFSOLCBW-UHFFFAOYSA-N 50170129 1-Benzyl-7-cyclohexyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-cyclohexyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL191414 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170129&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11774108 104056593 CHEMBL191414 ZINC13648069 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439992 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)c(C)n3c2c1=O InChI=1S/C19H21N5O2/c1-4-10-22-17(25)15-16(21-18-20-12(2)13(3)24(15)18)23(19(22)26)11-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,21) OQLCMCFQKFYOAN-UHFFFAOYSA-N 50170134 1-Benzyl-6,7-dimethyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-6,7-dimethyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL188506 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170134&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11348709 104056598 CHEMBL188506 ZINC13648071 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439993 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)c(C)n3c2c1=O InChI=1S/C20H23N5O2/c1-4-11-23-18(26)16-17(22-19-21-15(5-2)13(3)25(16)19)24(20(23)27)12-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,22) HXRUQROKFKMUEI-UHFFFAOYSA-N 50170138 1-Benzyl-7-ethyl-6-methyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-6-methyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL373090 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170138&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11257069 104056602 CHEMBL373090 ZINC13648074 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50439994 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccccc1 InChI=1S/C23H21N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,24,25) UEXAJGWZPXRZGA-UHFFFAOYSA-N 50170128 1-Benzyl-7-phenyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-phenyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL435887 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170128&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11452333 104056592 CHEMBL435887 ZINC13648049 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440023 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(OC)cc1 InChI=1S/C24H23N5O3/c1-3-13-27-22(30)20-21(29(24(27)31)14-16-7-5-4-6-8-16)26-23-25-19(15-28(20)23)17-9-11-18(32-2)12-10-17/h4-12,15H,3,13-14H2,1-2H3,(H,25,26) MOSPFLQQFAUCCI-UHFFFAOYSA-N 50170143 1-Benzyl-7-(4-methoxy-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-(4-methoxyphenyl)-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL189922 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170143&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11464552 104056607 CHEMBL189922 ZINC13648051 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440024 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(cc1)-c1ccccc1 InChI=1S/C29H25N5O2/c1-2-17-32-27(35)25-26(34(29(32)36)18-20-9-5-3-6-10-20)31-28-30-24(19-33(25)28)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16,19H,2,17-18H2,1H3,(H,30,31) BVGMOOZZMAZRCV-UHFFFAOYSA-N 50170133 1-Benzyl-7-biphenyl-4-yl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL190472 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170133&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11465677 104056597 CHEMBL190472 ZINC13648054 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440025 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1 InChI=1S/C23H20FN5O2/c1-2-12-27-21(30)19-20(29(23(27)31)13-15-6-4-3-5-7-15)26-22-25-18(14-28(19)22)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,25,26) LYKKTUMLNOYVLB-UHFFFAOYSA-N 50170130 1-Benzyl-7-(4-fluoro-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-(4-fluorophenyl)-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL426271 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170130&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11475577 104056594 CHEMBL426271 ZINC13648057 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440026 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(Cn3c2c1=O)c1ccccc1 InChI=1S/C24H22N4O2/c1-2-13-26-23(29)21-22(28(24(26)30)15-17-9-5-3-6-10-17)25-20-14-19(16-27(20)21)18-11-7-4-8-12-18/h3-12,14H,2,13,15-16H2,1H3 ULFOXVWHSODZOV-UHFFFAOYSA-N 50170131 1-Benzyl-7-phenyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-phenyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL193100 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170131&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11463674 104056595 CHEMBL193100 ZINC13648037 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440027 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)Cn3c2c1=O InChI=1S/C19H20N4O2/c1-3-9-21-18(24)16-17(20-15-10-13(2)11-22(15)16)23(19(21)25)12-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3 HMQNPUFPJRTPMX-UHFFFAOYSA-N 50170137 1-Benzyl-7-methyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-methyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL189904 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170137&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11371101 104056601 CHEMBL189904 ZINC13648040 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440028 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3 VRCZHWKFFVQSEO-UHFFFAOYSA-N 50170136 1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL371404 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170136&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11233411 104056600 CHEMBL371404 ZINC13648043 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440029 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)C(C)n3c2c1=O InChI=1S/C20H22N4O2/c1-4-10-22-19(25)17-18(21-16-11-13(2)14(3)24(16)17)23(20(22)26)12-15-8-6-5-7-9-15/h5-9,11,14H,4,10,12H2,1-3H3 VDRIWCZLIFRTAN-UHFFFAOYSA-N 50170142 1-Benzyl-6,7-dimethyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-6,7-dimethyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL193130 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170142&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11360082 104056606 CHEMBL193130 ZINC13648047 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440030 CCCn1c2nc3[nH]c(cn3c2c(=O)n(CCC)c1=O)-c1ccccc1 InChI=1S/C19H21N5O2/c1-3-10-22-16-15(17(25)23(11-4-2)19(22)26)24-12-14(20-18(24)21-16)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21) FTVPXIKSAVTJOH-UHFFFAOYSA-N 50254973 1,3-Dipropyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL526122 Adenosine receptor A1 Homo sapiens 373 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254973&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11494063 104107051 CHEMBL526122 ZINC40976075 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440031 CC(C)Cn1c2nc3[nH]c(cn3c2c(=O)n(CC(C)C)c1=O)-c1ccccc1 InChI=1S/C21H25N5O2/c1-13(2)10-25-18-17(19(27)26(21(25)28)11-14(3)4)24-12-16(22-20(24)23-18)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,22,23) ZMSOKXUTNKJYQK-UHFFFAOYSA-N 50254974 1,3-Diisobutyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL520767 Adenosine receptor A1 Homo sapiens 476 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254974&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11717832 104107052 CHEMBL520767 ZINC34641325 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440032 Cn1c2nc3[nH]c(cn3c2c(=O)n(C)c1=O)-c1ccccc1 InChI=1S/C15H13N5O2/c1-18-12-11(13(21)19(2)15(18)22)20-8-10(16-14(20)17-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17) UKMQTJFZUOZSRV-UHFFFAOYSA-N 50254975 1,3-Dimethyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL480599 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 906099 104107053 CHEMBL480599 ZINC00487740 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440033 Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)[nH]1 InChI=1S/C10H11N5O2/c1-5-4-15-6-7(12-9(15)11-5)13(2)10(17)14(3)8(6)16/h4H,1-3H3,(H,11,12) UCRWKJWWUYKFAC-UHFFFAOYSA-N 50254976 1,3,7-Trimethyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL480529 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254976&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3162667 104107054 CHEMBL480529 ZINC04314093 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440034 CCCn1c(=O)n(Cc2ccncc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C17H18N6O2/c1-3-8-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-4-6-18-7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,19,20) QWRPCYWJGMVFAO-UHFFFAOYSA-N 50254854 7-methyl-3-propyl-1-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione hydrochloride::CHEMBL454444 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254854&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570367 104106967 CHEMBL454444 ZINC40847197 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440035 CCCn1c(=O)n(Cc2cccnc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C17H18N6O2/c1-3-7-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-5-4-6-18-8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,19,20) WWYGZOMPIIJQPI-UHFFFAOYSA-N 50254855 7-methyl-3-propyl-1-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione hydrochloride::CHEMBL465089 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254855&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44570369 104106968 CHEMBL465089 ZINC40873620 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50440036 CCCn1c(=O)n(Cc2ccccn2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C17H18N6O2/c1-3-8-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-6-4-5-7-18-12/h4-7,9H,3,8,10H2,1-2H3,(H,19,20) RWZAZBZOMBDEGU-UHFFFAOYSA-N 50254856 7-methyl-3-propyl-1-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione hydrochloride::CHEMBL465090 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254856&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25147619 104106969 CHEMBL465090 ZINC40393218 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447657 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccc(C)o1 InChI=1S/C17H22N4O3/c1-11-6-7-14(24-11)17-19-15(18-12(2)22)9-16(20-17)21-8-4-5-13(21)10-23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,18,19,20,22)/t13-/m1/s1 HGXZPEGELGIADN-CYBMUJFWSA-N 50266476 CHEMBL508786::N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 10.5 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266476&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25209991 104113833 CHEMBL508786 ZINC40848619 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447674 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COc1ccccn1 InChI=1S/C21H25N7O2/c1-14-11-15(2)28(26-14)21-24-18(23-16(3)29)12-19(25-21)27-10-6-7-17(27)13-30-20-8-4-5-9-22-20/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,23,24,25,29)/t17-/m1/s1 MDXHAAVALMQUQH-QGZVFWFLSA-N 50266472 CHEMBL457573::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-[(R)-2-(pyridin-2-yloxymethyl) pyrrolidin-1-yl]pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 64 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266472&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208107 104113829 CHEMBL457573 ZINC40379670 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447675 CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COC InChI=1S/C18H26N6O2/c1-5-17(25)19-15-10-16(23-8-6-7-14(23)11-26-4)21-18(20-15)24-13(3)9-12(2)22-24/h9-10,14H,5-8,11H2,1-4H3,(H,19,20,21,25)/t14-/m1/s1 SIFGOPVTYSLYLX-CQSZACIVSA-N 50255246 CHEMBL469488::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]propionamide Adenosine receptor A1 Homo sapiens 64 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255246&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208259 104107236 CHEMBL469488 ZINC40892228 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447676 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccccn1 InChI=1S/C17H21N5O2/c1-12(23)19-15-10-16(22-9-5-6-13(22)11-24-2)21-17(20-15)14-7-3-4-8-18-14/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,21,23)/t13-/m1/s1 BHXYDHWPQIADCG-CYBMUJFWSA-N 50255187 CHEMBL521082::N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 69 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255187&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208258 104107194 CHEMBL521082 ZINC40410938 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447679 COC[C@H]1CCCN1c1cc(NC(=O)CC(C)C)nc(n1)-n1nc(C)cc1C InChI=1S/C20H30N6O2/c1-13(2)9-19(27)21-17-11-18(25-8-6-7-16(25)12-28-5)23-20(22-17)26-15(4)10-14(3)24-26/h10-11,13,16H,6-9,12H2,1-5H3,(H,21,22,23,27)/t16-/m1/s1 CKWQSSKRPNSISV-MRXNPFEDSA-N 50255248 CHEMBL482011::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylbutyramide Adenosine receptor A1 Homo sapiens 92 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255248&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25210118 104107238 CHEMBL482011 ZINC40410541 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447682 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccccn1 InChI=1S/C17H21N5O2/c1-12(23)19-15-10-16(22-9-5-6-13(22)11-24-2)21-17(20-15)14-7-3-4-8-18-14/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,21,23)/t13-/m0/s1 BHXYDHWPQIADCG-ZDUSSCGKSA-N 50255186 CHEMBL446738::N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 125 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255186&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25209990 104107193 CHEMBL446738 ZINC40980801 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447683 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1 InChI=1S/C15H19N5O2S/c1-10(21)17-12-8-13(20-6-3-4-11(20)9-22-2)19-14(18-12)15-16-5-7-23-15/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,17,18,19,21)/t11-/m1/s1 YUBORDSDHOFYPC-LLVKDONJSA-N 50255185 CHEMBL480443::N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-thiazol-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255185&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208257 104107192 CHEMBL480443 ZINC40412560 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447684 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24)/t14-/m1/s1 FGADYIBOWLXZLA-CQSZACIVSA-N 50266416 CHEMBL458224::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-(R)-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 162 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266416&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24812771 104113798 CHEMBL458224 ZINC40394057 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447685 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 InChI=1S/C16H20N4O2S/c1-11(21)17-14-9-15(20-7-3-5-12(20)10-22-2)19-16(18-14)13-6-4-8-23-13/h4,6,8-9,12H,3,5,7,10H2,1-2H3,(H,17,18,19,21)/t12-/m1/s1 JSBYWPLAHJGGCH-GFCCVEGCSA-N 50266502 CHEMBL510696::N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 203 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266502&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25210116 104113845 CHEMBL510696 ZINC40847544 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447687 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccc(C)o1 InChI=1S/C17H22N4O3/c1-11-6-7-14(24-11)17-19-15(18-12(2)22)9-16(20-17)21-8-4-5-13(21)10-23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,18,19,20,22)/t13-/m0/s1 HGXZPEGELGIADN-ZDUSSCGKSA-N 50255184 CHEMBL521081::N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 215 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255184&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208255 104107191 CHEMBL521081 ZINC40935413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447688 CCCC1CCN(C1)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H26N6O/c1-5-6-15-7-8-23(11-15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25) BOLIEOARQUBCKA-UHFFFAOYSA-N 50266412 CHEMBL456051::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 222 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266412&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581866 104113794 CHEMBL456051 ZINC40846799 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447692 COCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24) FGADYIBOWLXZLA-UHFFFAOYSA-N 50266415 CHEMBL516168::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 320 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266415&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25207959 104113797 CHEMBL516168 ZINC40394059 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447693 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCc2ccccc2C1 InChI=1S/C20H22N6O/c1-13-10-14(2)26(24-13)20-22-18(21-15(3)27)11-19(23-20)25-9-8-16-6-4-5-7-17(16)12-25/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22,23,27) BJIHXFIZELWLCM-UHFFFAOYSA-N 50266384 CHEMBL456287::N-[6-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 323 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266384&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25207955 104113783 CHEMBL456287 ZINC40380566 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447695 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 InChI=1S/C16H20N4O2S/c1-11(21)17-14-9-15(20-7-3-5-12(20)10-22-2)19-16(18-14)13-6-4-8-23-13/h4,6,8-9,12H,3,5,7,10H2,1-2H3,(H,17,18,19,21)/t12-/m0/s1 JSBYWPLAHJGGCH-LBPRGKRZSA-N 50266503 CHEMBL456068::N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-thiophen-2-yl-pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 325 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266503&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208256 104113846 CHEMBL456068 ZINC40847999 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447696 COC[C@H]1C[C@@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC InChI=1S/C18H26N6O3/c1-11-6-12(2)24(22-11)18-20-16(19-13(3)25)8-17(21-18)23-9-15(27-5)7-14(23)10-26-4/h6,8,14-15H,7,9-10H2,1-5H3,(H,19,20,21,25)/t14-,15+/m1/s1 FCRJTICZALDLSZ-CABCVRRESA-N 50266474 CHEMBL455848::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((S)-4-methoxy-(R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 352 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266474&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208109 104113831 CHEMBL455848 ZINC40848617 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447697 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1 InChI=1S/C15H19N5O2S/c1-10(21)17-12-8-13(20-6-3-4-11(20)9-22-2)19-14(18-12)15-16-5-7-23-15/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,17,18,19,21)/t11-/m0/s1 YUBORDSDHOFYPC-NSHDSACASA-N 50266504 CHEMBL456069::N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-thiazol-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 354 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266504&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25210117 104113847 CHEMBL456069 ZINC40380035 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447700 COC[C@H]1C[C@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC InChI=1S/C18H26N6O3/c1-11-6-12(2)24(22-11)18-20-16(19-13(3)25)8-17(21-18)23-9-15(27-5)7-14(23)10-26-4/h6,8,14-15H,7,9-10H2,1-5H3,(H,19,20,21,25)/t14-,15-/m1/s1 FCRJTICZALDLSZ-HUUCEWRRSA-N 50266475 CHEMBL455849::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-4-methoxy-(R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 620 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266475&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208254 104113832 CHEMBL455849 ZINC40379772 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447701 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1=O InChI=1S/C15H18N6O2/c1-9-7-10(2)21(19-9)15-17-12(16-11(3)22)8-13(18-15)20-6-4-5-14(20)23/h7-8H,4-6H2,1-3H3,(H,16,17,18,22) XKIKFDDSMFZYHX-UHFFFAOYSA-N 50266381 CHEMBL515992::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 913 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266381&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24989636 104113780 CHEMBL515992 ZINC40848305 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447702 COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(n1)-n1nc(C)cc1C InChI=1S/C17H24N6O3/c1-11-8-12(2)23(21-11)16-18-14(19-17(24)26-4)9-15(20-16)22-7-5-6-13(22)10-25-3/h8-9,13H,5-7,10H2,1-4H3,(H,18,19,20,24)/t13-/m1/s1 NGBUOZZQRKAQRL-CYBMUJFWSA-N 50255188 CHEMBL480444::[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]carbamic Acid Methyl Ester Adenosine receptor A1 Homo sapiens 960 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255188&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208260 104107195 CHEMBL480444 ZINC40935707 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447703 CC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C16H22N6O/c1-10-8-12(3)22(20-10)16-18-14(17-13(4)23)9-15(19-16)21-7-5-6-11(21)2/h8-9,11H,5-7H2,1-4H3,(H,17,18,19,23) FINGQUKKTRAYQK-UHFFFAOYSA-N 50266385 CHEMBL456073::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 1037 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266385&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25207956 104113784 CHEMBL456073 ZINC40390984 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447704 COC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(n1)-n1nc(C)cc1C InChI=1S/C19H29N7O2/c1-12(2)20-19(27)22-16-10-17(25-8-6-7-15(25)11-28-5)23-18(21-16)26-14(4)9-13(3)24-26/h9-10,12,15H,6-8,11H2,1-5H3,(H2,20,21,22,23,27)/t15-/m1/s1 MTZHACHOHNFIFR-OAHLLOKOSA-N 50255247 1-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]-3-isopropylurea::CHEMBL481817 Adenosine receptor A1 Homo sapiens 1283 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255247&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25210119 104107237 CHEMBL481817 ZINC40934923 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447705 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1CO InChI=1S/C16H22N6O2/c1-10-7-11(2)22(20-10)16-18-14(17-12(3)24)8-15(19-16)21-6-4-5-13(21)9-23/h7-8,13,23H,4-6,9H2,1-3H3,(H,17,18,19,24)/t13-/m0/s1 IHVOVVIHCKVZED-ZDUSSCGKSA-N 50266441 CHEMBL515344::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-hydroxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 1533 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266441&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581894 104113811 CHEMBL515344 ZINC40380606 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447706 COC[C@@H]1CCC(C)N1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H26N6O2/c1-11-8-13(3)24(22-11)18-20-16(19-14(4)25)9-17(21-18)23-12(2)6-7-15(23)10-26-5/h8-9,12,15H,6-7,10H2,1-5H3,(H,19,20,21,25)/t12?,15-/m0/s1 VFZQDRIKYWPIDY-CVRLYYSRSA-N 50266443 CHEMBL458232::N-[2-(3,5-Dimethylpyrazol--yl)-6-((R)-2-methoxymethyl-5-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 1640 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266443&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581896 104113813 CHEMBL458232 ZINC40863251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447708 COC[C@H]1CCCN1c1cc(N)nc(n1)-n1nc(C)cc1C InChI=1S/C15H22N6O/c1-10-7-11(2)21(19-10)15-17-13(16)8-14(18-15)20-6-4-5-12(20)9-22-3/h7-8,12H,4-6,9H2,1-3H3,(H2,16,17,18)/t12-/m1/s1 JYIMVDSGZBYVOH-GFCCVEGCSA-N 50255189 2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-ylamine::CHEMBL482213 Adenosine receptor A1 Homo sapiens 2473 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255189&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24989638 104107196 CHEMBL482213 ZINC40919288 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443352 O=C(c1sc(NCc2cccs2)nc1-c1ccco1)c1ccccc1 InChI=1S/C19H14N2O2S2/c22-17(13-6-2-1-3-7-13)18-16(15-9-4-10-23-15)21-19(25-18)20-12-14-8-5-11-24-14/h1-11H,12H2,(H,20,21) IYYGANUHKCRQPE-UHFFFAOYSA-N 50266021 (4-(furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL456457 Adenosine receptor A1 Homo sapiens 2990 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266021&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15950360 104113553 CHEMBL456457 ZINC34804177 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443353 CN(Cc1ccco1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C20H16N2O3S/c1-22(13-15-9-5-11-24-15)20-21-17(16-10-6-12-25-16)19(26-20)18(23)14-7-3-2-4-8-14/h2-12H,13H2,1H3 DKICFZCZJPNDET-UHFFFAOYSA-N 50266055 (4-(furan-2-yl)-2-((furan-2-ylmethyl)(methyl)amino)thiazol-5-yl)(phenyl)methanone::CHEMBL508555 Adenosine receptor A1 Homo sapiens 3420 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266055&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581432 104113579 CHEMBL508555 ZINC40379220 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443354 O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1 InChI=1S/C23H18N2O4S/c26-21(16-5-2-1-3-6-16)22-20(18-7-4-12-27-18)25-23(30-22)24-11-10-15-8-9-17-19(13-15)29-14-28-17/h1-9,12-13H,10-11,14H2,(H,24,25) ORZFUSWWXUVGND-UHFFFAOYSA-N 50266022 (2-(2-(benzo[d][1,3]dioxol-5-yl)ethylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL456455 Adenosine receptor A1 Homo sapiens 3500 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266022&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581398 104113554 CHEMBL456455 ZINC40847581 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443355 CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C15H12N2O2S/c1-16-15-17-12(11-8-5-9-19-11)14(20-15)13(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17) VVCBHFZICJIYTO-UHFFFAOYSA-N 50265981 (4-(furan-2-yl)-2-(methylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL461665 Adenosine receptor A1 Homo sapiens 3580 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265981&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581364 104113526 CHEMBL461665 ZINC40874290 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443356 Fc1ccccc1CN1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C26H24FN3O2S/c27-21-10-5-4-9-19(21)17-30-14-12-20(13-15-30)28-26-29-23(22-11-6-16-32-22)25(33-26)24(31)18-7-2-1-3-8-18/h1-11,16,20H,12-15,17H2,(H,28,29) HVKJEQVCCNXTHI-UHFFFAOYSA-N 50266018 (2-(1-(2-fluorobenzyl)piperidin-4-ylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL452203 Adenosine receptor A1 Homo sapiens 3710 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266018&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581397 104113550 CHEMBL452203 ZINC40380530 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447709 COC(=O)[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H22N6O3/c1-10-8-11(2)23(21-10)17-19-14(18-12(3)24)9-15(20-17)22-7-5-6-13(22)16(25)26-4/h8-9,13H,5-7H2,1-4H3,(H,18,19,20,24)/t13-/m1/s1 ATWJGPBKXBYQRH-CYBMUJFWSA-N 50266413 (R)-1-[6-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic Acid Methyl Ester::CHEMBL515190 Adenosine receptor A1 Homo sapiens 2934 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266413&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25207957 104113795 CHEMBL515190 ZINC40849224 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447710 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCCC1 InChI=1S/C16H22N6O/c1-11-9-12(2)22(20-11)16-18-14(17-13(3)23)10-15(19-16)21-7-5-4-6-8-21/h9-10H,4-8H2,1-3H3,(H,17,18,19,23) DHTULAQTJMSBAR-UHFFFAOYSA-N 50266380 CHEMBL457578::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 3364.3 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266380&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25210255 104113779 CHEMBL457578 ZINC40848304 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447711 CCOCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H26N6O2/c1-5-26-11-15-7-6-8-23(15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25) RAEPBILQBUXWGC-UHFFFAOYSA-N 50266440 CHEMBL456271::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-ethoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 4186 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266440&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25207961 104113810 CHEMBL456271 ZINC40860600 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447712 CCN(CC)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C15H22N6O/c1-6-20(7-2)14-9-13(16-12(5)22)17-15(18-14)21-11(4)8-10(3)19-21/h8-9H,6-7H2,1-5H3,(H,16,17,18,22) WGINQISWUSBVEU-UHFFFAOYSA-N 50255249 CHEMBL445755::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-diethylamino-1-yl-pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 4466 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255249&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25210254 104107239 CHEMBL445755 ZINC40833602 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447713 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24)/t14-/m0/s1 FGADYIBOWLXZLA-AWEZNQCLSA-N 50266439 CHEMBL515192::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-(S)-methoxymethyl)pyrrolidin-1-ylpyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 4468 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266439&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25207960 104113809 CHEMBL515192 ZINC40394059 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447714 COCC[C@@H]1CCCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C19H28N6O2/c1-13-11-14(2)25(23-13)19-21-17(20-15(3)26)12-18(22-19)24-9-6-5-7-16(24)8-10-27-4/h11-12,16H,5-10H2,1-4H3,(H,20,21,22,26)/t16-/m0/s1 UGNSMPYSZOFILX-INIZCTEOSA-N 50266442 CHEMBL515218::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-[(R)-2-(2-methoxyethyl)piperidin-1-yl]pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 4695 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266442&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581895 104113812 CHEMBL515218 ZINC40391160 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447715 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1 InChI=1S/C15H20N6O/c1-10-8-11(2)21(19-10)15-17-13(16-12(3)22)9-14(18-15)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3,(H,16,17,18,22) SUSJUEJXDAVAEM-UHFFFAOYSA-N 50255250 CHEMBL519952::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 4954 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255250&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24989637 104107240 CHEMBL519952 ZINC40933855 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447716 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCOCC1 InChI=1S/C15H20N6O2/c1-10-8-11(2)21(19-10)15-17-13(16-12(3)22)9-14(18-15)20-4-6-23-7-5-20/h8-9H,4-7H2,1-3H3,(H,16,17,18,22) UTOGKCKVWJBVAS-UHFFFAOYSA-N 50266382 CHEMBL457579::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 8124 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266382&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25210256 104113781 CHEMBL457579 ZINC40848306 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447718 CN1CCN(CC1)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C16H23N7O/c1-11-9-12(2)23(20-11)16-18-14(17-13(3)24)10-15(19-16)22-7-5-21(4)6-8-22/h9-10H,5-8H2,1-4H3,(H,17,18,19,24) WSJKENGAIRXRGV-UHFFFAOYSA-N 50266383 CHEMBL457580::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266383&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25210257 104113782 CHEMBL457580 ZINC40379862 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50447719 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1COc1ccccn1 InChI=1S/C21H25N7O2/c1-14-11-15(2)28(26-14)21-24-18(23-16(3)29)12-19(25-21)27-10-6-7-17(27)13-30-20-8-4-5-9-22-20/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,23,24,25,29)/t17-/m0/s1 MDXHAAVALMQUQH-KRWDZBQOSA-N 50266473 CHEMBL459098::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-[(S)-2-(pyridin-2-yloxymethyl) pyrrolidin-1-yl]pyrimidin-4-yl]acetamide Adenosine receptor A1 Homo sapiens 12100 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266473&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25208108 104113830 CHEMBL459098 ZINC40863664 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443357 COC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C18H18N2O3S/c1-12(22-2)11-19-18-20-15(14-9-6-10-23-14)17(24-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20) LCQMEUVWVNWEOX-UHFFFAOYSA-N 50265984 (4-(furan-2-yl)-2-(2-methoxypropylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL460171 Adenosine receptor A1 Homo sapiens 3970 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265984&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581367 104113529 CHEMBL460171 ZINC40392334 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443358 O=C(c1sc(NCCCc2ccccc2)nc1-c1ccco1)c1ccccc1 InChI=1S/C23H20N2O2S/c26-21(18-12-5-2-6-13-18)22-20(19-14-8-16-27-19)25-23(28-22)24-15-7-11-17-9-3-1-4-10-17/h1-6,8-10,12-14,16H,7,11,15H2,(H,24,25) VZEXLUMZSFKUJP-UHFFFAOYSA-N 50266052 (4-(furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL457103 Adenosine receptor A1 Homo sapiens 6300 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266052&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581429 104113576 CHEMBL457103 ZINC40848287 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443359 COCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C17H16N2O3S/c1-21-11-9-18-17-19-14(13-8-5-10-22-13)16(23-17)15(20)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,19) KWZVOZYJVSTZBL-UHFFFAOYSA-N 50265983 (4-(furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL460170 Adenosine receptor A1 Homo sapiens 6780 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265983&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581366 104113528 CHEMBL460170 ZINC40391872 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443363 CN(Cc1ccccc1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C22H18N2O2S/c1-24(15-16-9-4-2-5-10-16)22-23-19(18-13-8-14-26-18)21(27-22)20(25)17-11-6-3-7-12-17/h2-14H,15H2,1H3 HGFUXSJCWBETFB-UHFFFAOYSA-N 50266054 (2-(benzyl(methyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL456033 Adenosine receptor A1 Homo sapiens 9460 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266054&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581431 104113578 CHEMBL456033 ZINC40849205 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443364 CN(C)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C16H14N2O2S/c1-18(2)16-17-13(12-9-6-10-20-12)15(21-16)14(19)11-7-4-3-5-8-11/h3-10H,1-2H3 ZFPWYHVOECDVBQ-UHFFFAOYSA-N 50266053 (2-(dimethylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL512025 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266053&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581430 104113577 CHEMBL512025 ZINC40379959 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443365 O=C(c1sc(nc1-c1ccco1)N(Cc1ccco1)Cc1ccccc1)c1ccccc1 InChI=1S/C26H20N2O3S/c29-24(20-11-5-2-6-12-20)25-23(22-14-8-16-31-22)27-26(32-25)28(18-21-13-7-15-30-21)17-19-9-3-1-4-10-19/h1-16H,17-18H2 UXTNNVIYBQKXOL-UHFFFAOYSA-N 50266084 (2-(benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL457546 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266084&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25211166 104113602 CHEMBL457546 ZINC40380378 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443366 CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C21H18N2O2S2/c1-23(12-11-16-9-6-14-26-16)21-22-18(17-10-5-13-25-17)20(27-21)19(24)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3 YNKWDHWPAYXFLC-UHFFFAOYSA-N 50266085 (4-(furan-2-yl)-2-(methyl(2-(thiophen-2-yl)ethyl)amino)thiazol-5-yl)(phenyl)methanone::CHEMBL456257 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266085&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581471 104113603 CHEMBL456257 ZINC40848653 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443367 O=C(c1sc(nc1-c1ccco1)N(CCc1cccs1)Cc1ccccc1)c1ccccc1 InChI=1S/C27H22N2O2S2/c30-25(21-11-5-2-6-12-21)26-24(23-14-7-17-31-23)28-27(33-26)29(16-15-22-13-8-18-32-22)19-20-9-3-1-4-10-20/h1-14,17-18H,15-16,19H2 CODZQUKWDQBJNQ-UHFFFAOYSA-N 50266086 (2-(benzyl(2-(thiophen-2-yl)ethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL456256 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266086&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581472 104113604 CHEMBL456256 ZINC40848374 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443368 O=C(c1sc(NCCc2cccs2)nc1-c1ccco1)c1ccccc1 InChI=1S/C20H16N2O2S2/c23-18(14-6-2-1-3-7-14)19-17(16-9-4-12-24-16)22-20(26-19)21-11-10-15-8-5-13-25-15/h1-9,12-13H,10-11H2,(H,21,22) GHMVNUPBBMBPQG-UHFFFAOYSA-N 50266051 (4-(furan-2-yl)-2-(2-(thiophen-2-yl)ethylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL457102 Adenosine receptor A1 Homo sapiens >6700 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266051&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581428 104113575 CHEMBL457102 ZINC40848286 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443369 Fc1ccc(CNc2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)cc1F InChI=1S/C21H14F2N2O2S/c22-15-9-8-13(11-16(15)23)12-24-21-25-18(17-7-4-10-27-17)20(28-21)19(26)14-5-2-1-3-6-14/h1-11H,12H2,(H,24,25) PJBOAYIIKGMTMD-UHFFFAOYSA-N 50266019 (2-(3,4-difluorobenzylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL465171 Adenosine receptor A1 Homo sapiens >7500 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266019&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16050635 104113551 CHEMBL465171 ZINC34948285 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443382 CC(=O)N1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C21H21N3O3S/c1-14(25)24-11-9-16(10-12-24)22-21-23-18(17-8-5-13-27-17)20(28-21)19(26)15-6-3-2-4-7-15/h2-8,13,16H,9-12H2,1H3,(H,22,23) IOGXGBJVAXMMAH-UHFFFAOYSA-N 50265986 1-(4-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)piperidin-1-yl)ethanone::CHEMBL460384 Adenosine receptor A1 Homo sapiens 1240 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581369 104113531 CHEMBL460384 ZINC40862461 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443383 CC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C18H18N2O2S/c1-12(2)11-19-18-20-15(14-9-6-10-22-14)17(23-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20) MYVPXLHJBRJPSV-UHFFFAOYSA-N 50265982 (4-(furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL516948 Adenosine receptor A1 Homo sapiens 1280 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265982&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581365 104113527 CHEMBL516948 ZINC40864395 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443384 O=C(c1sc(NCc2ccco2)nc1-c1ccco1)c1ccccc1 InChI=1S/C19H14N2O3S/c22-17(13-6-2-1-3-7-13)18-16(15-9-5-11-24-15)21-19(25-18)20-12-14-8-4-10-23-14/h1-11H,12H2,(H,20,21) LLLDLOJFFPPLKI-UHFFFAOYSA-N 50266020 (4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL516871 Adenosine receptor A1 Homo sapiens 1460 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266020&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25211167 104113552 CHEMBL516871 ZINC40401774 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50443385 CC(=O)NCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C18H17N3O3S/c1-12(22)19-9-10-20-18-21-15(14-8-5-11-24-14)17(25-18)16(23)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21) QCWIIINNGDMPMR-UHFFFAOYSA-N 50265985 CHEMBL460172::N-(2-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)ethyl)acetamide Adenosine receptor A1 Homo sapiens 2420 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265985&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44581368 104113530 CHEMBL460172 ZINC40864392 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433895 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 51 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433899 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C16H16IN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 IDVXTFYPPUNLDO-AXAPSJFSSA-N 50252757 (2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL500569 Adenosine receptor A1 Homo sapiens 530 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252757&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25003340 104105495 CHEMBL500569 ZINC40424742 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433900 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 InChI=1S/C16H16BrN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 YPCLFHBYRDLMJY-AXAPSJFSSA-N 50252756 (2R,3R,4S)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL522856 Adenosine receptor A1 Homo sapiens 790 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252756&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25003339 104105494 CHEMBL522856 ZINC40956058 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433901 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 InChI=1S/C16H16ClN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 CKXSTCOOOXXOLA-AXAPSJFSSA-N 50252755 (2R,3R,4S)-2-(6-(3-Chlorobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL494086 Adenosine receptor A1 Homo sapiens 860 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252755&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25003338 104105493 CHEMBL494086 ZINC40956055 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433902 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 InChI=1S/C16H16FN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 YDNYUMZDXCVVRT-AXAPSJFSSA-N 50252717 (2R,3R,4S)-2-(6-(3-Fluorobenzylamino)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol::CHEMBL509055 Adenosine receptor A1 Homo sapiens 1430 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252717&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25002987 104105460 CHEMBL509055 ZINC40379374 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433903 CNc1ncnc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O InChI=1S/C10H13N5O2S/c1-11-8-6-9(13-3-12-8)15(4-14-6)10-7(17)5(16)2-18-10/h3-5,7,10,16-17H,2H2,1H3,(H,11,12,13)/t5-,7-,10-/m1/s1 GQUWGYPVJACEKV-VISXPRAWSA-N 50252716 (2R,3R,4S)-Tetrahydro-2-(6-(methylamino)-9H-purin-9-yl)thiophene-3,4-diol::CHEMBL493888 Adenosine receptor A1 Homo sapiens 1070 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252716&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25129539 104105459 CHEMBL493888 ZINC40430972 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433904 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 JXJRUAGROQMNET-MOROJQBDSA-N 50177309 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic aciddimethylamide::CHEMBL436485 Adenosine receptor A1 Homo sapiens 6220 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177309&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16656768 104062777 CHEMBL436485 ZINC28568789 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433905 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IRIUFVPPSHYZRM-PFHKOEEOSA-N 50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732 Adenosine receptor A1 Homo sapiens 193 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180197&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11813713 104065330 CHEMBL200732 ZINC28563903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433906 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O3S/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 GWXXZRJKZRKCOK-MOROJQBDSA-N 50252829 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL522152::N6-(3-Iodo-benzyl)-9-(5'-methylaminocarbonyl-4'-thiobeta-D-ribofuranosyl)adenine Adenosine receptor A1 Homo sapiens 17.3 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252829&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44568838 104105555 CHEMBL522152 ZINC42889331 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50433907 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A1 Homo sapiens 222 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450997 CC(C)Nc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C11H13N7O/c1-6(2)13-10-15-9(12)18-11(16-10)14-8(17-18)7-4-3-5-19-7/h3-6H,1-2H3,(H3,12,13,14,15,16,17) JVNIUHAVIAHYCZ-UHFFFAOYSA-N 50137526 CHEMBL3754099 Adenosine receptor A1 Homo sapiens 4310 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137526&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15729977 336952027 CHEMBL3754099 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450998 CNc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C9H9N7O/c1-11-8-13-7(10)16-9(14-8)12-6(15-16)5-3-2-4-17-5/h2-4H,1H3,(H3,10,11,12,13,14,15) WUGXJMXVHUVBQK-UHFFFAOYSA-N 50137525 CHEMBL3752868 Adenosine receptor A1 Homo sapiens 2570 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137525&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036437 336952026 CHEMBL3752868 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455354 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H20ClN5O3/c16-5-9-11(22)12(23)15(24-9)21-7-19-10-13(17-6-18-14(10)21)20-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,17,18,20)/t9-,11-,12-,15-/m1/s1 ZKIZBXWHVOAQQX-SDBHATRESA-N 50267393 CHEMBL477444::N6-Cyclopentyl-9H-(5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine Adenosine receptor A1 Homo sapiens 0.59 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267393&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14426726 104114235 CHEMBL477444 ZINC13776769 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455355 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H19Cl2N5O3/c16-5-8-10(23)11(24)14(25-8)22-6-18-9-12(19-7-3-1-2-4-7)20-15(17)21-13(9)22/h6-8,10-11,14,23-24H,1-5H2,(H,19,20,21)/t8-,10-,11-,14-/m1/s1 GWUOJELSUSGGDU-IDTAVKCVSA-N 50267394 2,5'-dichloro-5'-deoxy-N6-cyclopentyladenosine::CHEMBL477445 Adenosine receptor A1 Homo sapiens 1.6 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267394&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582613 104114236 CHEMBL477445 ZINC40917514 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455356 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8?,9?,10?,11-,13-,14-,17-/m1/s1 PVJGDYDNVNCGBT-STHLEMNDSA-N 50267395 5'-chloro-5'-deoxy-N6-((-endo-norborn-2-yl)adenosine::CHEMBL449575 Adenosine receptor A1 Homo sapiens 0.51 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267395&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42636897 104114237 CHEMBL449575 ZINC40845240 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455357 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C17H21Cl2N5O3/c18-5-10-12(25)13(26)16(27-10)24-6-20-11-14(22-17(19)23-15(11)24)21-9-4-7-1-2-8(9)3-7/h6-10,12-13,16,25-26H,1-5H2,(H,21,22,23)/t7?,8?,9?,10-,12-,13-,16-/m1/s1 JCAVHDDDZIXFHB-NNBIHLJJSA-N 50267396 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine::CHEMBL514541 Adenosine receptor A1 Homo sapiens 1.6 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267396&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582614 104114238 CHEMBL514541 ZINC40915757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455358 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C16H22ClN5O3/c1-16(24)12(23)10(6-17)25-15(16)22-8-20-11-13(18-7-19-14(11)22)21-9-4-2-3-5-9/h7-10,12,15,23-24H,2-6H2,1H3,(H,18,19,21)/t10-,12-,15-,16-/m1/s1 NLIFRXPNXHCYSY-QTDMDRALSA-N 50267397 CHEMBL515330::N6-Cyclopentyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine Adenosine receptor A1 Homo sapiens 28 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267397&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42625614 104114239 CHEMBL515330 ZINC40405043 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455359 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C16H21Cl2N5O3/c1-16(25)11(24)9(6-17)26-14(16)23-7-19-10-12(20-8-4-2-3-5-8)21-15(18)22-13(10)23/h7-9,11,14,24-25H,2-6H2,1H3,(H,20,21,22)/t9-,11-,14-,16-/m1/s1 GHKVAAPTNWFDFP-ROMFRFKVSA-N 50267474 2-Chloro-N6-cyclopentyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine::CHEMBL478071 Adenosine receptor A1 Homo sapiens 13 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267474&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42625615 104114297 CHEMBL478071 ZINC40407717 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455360 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C18H24ClN5O3/c1-18(26)14(25)12(6-19)27-17(18)24-8-22-13-15(20-7-21-16(13)24)23-11-5-9-2-3-10(11)4-9/h7-12,14,17,25-26H,2-6H2,1H3,(H,20,21,23)/t9?,10?,11?,12-,14-,17-,18-/m1/s1 KJRVCYQOURUJNS-JCGITXMQSA-N 50267475 CHEMBL477665::N6-(+/-)-endo-Norbornyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine Adenosine receptor A1 Homo sapiens 9.1 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267475&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582652 104114298 CHEMBL477665 ZINC40406679 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455361 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C18H23Cl2N5O3/c1-18(27)13(26)11(6-19)28-16(18)25-7-21-12-14(23-17(20)24-15(12)25)22-10-5-8-2-3-9(10)4-8/h7-11,13,16,26-27H,2-6H2,1H3,(H,22,23,24)/t8?,9?,10?,11-,13-,16-,18-/m1/s1 MCWKNNFERCKYEZ-JJSDLRPOSA-N 50267476 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine::CHEMBL514701 Adenosine receptor A1 Homo sapiens 9.2 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267476&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582653 104114299 CHEMBL514701 ZINC40917048 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455362 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C21H24FN5O3S/c22-13-7-3-4-8-15(13)31-9-14-17(28)18(29)21(30-14)27-11-25-16-19(23-10-24-20(16)27)26-12-5-1-2-6-12/h3-4,7-8,10-12,14,17-18,21,28-29H,1-2,5-6,9H2,(H,23,24,26)/t14-,17-,18-,21-/m1/s1 SKEFGDREBIAUKI-HAXDFEGKSA-N 50267477 CHEMBL477666::N6-cyclopentyl-5'-(2-fluorophenylthio)-5'-deoxyadenosine Adenosine receptor A1 Homo sapiens 65 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267477&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582654 104114300 CHEMBL477666 ZINC40917050 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455363 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C21H23ClFN5O3S/c22-21-26-18(25-11-5-1-2-6-11)15-19(27-21)28(10-24-15)20-17(30)16(29)13(31-20)9-32-14-8-4-3-7-12(14)23/h3-4,7-8,10-11,13,16-17,20,29-30H,1-2,5-6,9H2,(H,25,26,27)/t13-,16-,17-,20-/m1/s1 XRENBVUKDQUOEX-AEVYOOLXSA-N 50267478 2-Chloro-N6-cyclopentyl-9H-[5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine::CHEMBL477667 Adenosine receptor A1 Homo sapiens 258 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267478&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42625766 104114301 CHEMBL477667 ZINC40406222 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455364 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C22H26FN5O3S/c1-22(30)18(29)15(10-32-16-9-5-4-8-14(16)23)31-21(22)28-12-26-17-19(24-11-25-20(17)28)27-13-6-2-3-7-13/h4-5,8-9,11-13,15,18,21,29-30H,2-3,6-7,10H2,1H3,(H,24,25,27)/t15-,18-,21-,22-/m1/s1 HLCHODGVFAWXHE-CSOSIKBCSA-N 50267534 CHEMBL523934::N6-Cyclopentyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine Adenosine receptor A1 Homo sapiens 1680 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267534&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42625691 104114344 CHEMBL523934 ZINC42889638 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455365 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C22H25ClFN5O3S/c1-22(31)17(30)14(10-33-15-9-5-4-8-13(15)24)32-20(22)29-11-25-16-18(26-12-6-2-3-7-12)27-21(23)28-19(16)29/h4-5,8-9,11-12,14,17,20,30-31H,2-3,6-7,10H2,1H3,(H,26,27,28)/t14-,17-,20-,22-/m1/s1 BCVLVMKKFUPZOJ-WJUSGVQTSA-N 50267535 2-Chloro-N6-cyclopentyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine::CHEMBL489226 Adenosine receptor A1 Homo sapiens 2150 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267535&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42625767 104114345 CHEMBL489226 ZINC40423087 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455366 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C24H28FN5O3S/c1-24(32)20(31)17(10-34-18-5-3-2-4-15(18)25)33-23(24)30-12-28-19-21(26-11-27-22(19)30)29-16-9-13-6-7-14(16)8-13/h2-5,11-14,16-17,20,23,31-32H,6-10H2,1H3,(H,26,27,29)/t13?,14?,16?,17-,20-,23-,24-/m1/s1 NHVSFMHVXXRXTK-FKVZXCLDSA-N 50267536 CHEMBL489428::N6-(+/-)-endo-Norbornyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine Adenosine receptor A1 Homo sapiens 1060 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267536&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582690 104114346 CHEMBL489428 ZINC40423436 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455367 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C24H27ClFN5O3S/c1-24(33)19(32)16(10-35-17-5-3-2-4-14(17)26)34-22(24)31-11-27-18-20(29-23(25)30-21(18)31)28-15-9-12-6-7-13(15)8-12/h2-5,11-13,15-16,19,22,32-33H,6-10H2,1H3,(H,28,29,30)/t12?,13?,15?,16-,19-,22-,24-/m1/s1 HBQQLUQZBVQYNK-OHNWYQNPSA-N 50267537 2-Chloro-N6-(+/-)-endo-norbornyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine::CHEMBL489628 Adenosine receptor A1 Homo sapiens 2970 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267537&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582691 104114347 CHEMBL489628 ZINC40421343 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455368 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C20H22FN5O4S/c21-12-3-1-2-4-14(12)31-8-13-16(27)17(28)20(30-13)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,13,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20-/m1/s1 XFBWHONCPLPUJK-OFGIKRIPSA-N 50267574 CHEMBL489638::N6-Tetrahydrofuranyl-9H-[5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267574&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582723 104114384 CHEMBL489638 ZINC40949493 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455369 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C18H25N5O4/c1-18(26)14(25)12(6-24)27-17(18)23-8-21-13-15(19-7-20-16(13)23)22-11-5-9-2-3-10(11)4-9/h7-12,14,17,24-26H,2-6H2,1H3,(H,19,20,22)/t9?,10?,11?,12-,14-,17-,18-/m1/s1 CYNWVQQNSGCUDM-JCGITXMQSA-N 50267575 CHEMBL522095::N6-(+/-)-endo-Norbornyl-9H-(2-C-methyl-beta-D-ribofuranosyl)-adenine Adenosine receptor A1 Homo sapiens 4.1 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267575&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582724 104114385 CHEMBL522095 ZINC40423563 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455370 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C18H24ClN5O4/c1-18(27)13(26)11(6-25)28-16(18)24-7-20-12-14(22-17(19)23-15(12)24)21-10-5-8-2-3-9(10)4-8/h7-11,13,16,25-27H,2-6H2,1H3,(H,21,22,23)/t8?,9?,10?,11-,13-,16-,18-/m1/s1 RCXQAUDRRQGKAP-JJSDLRPOSA-N 50267576 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-beta-D-ribofuranosyl)adenine::CHEMBL489639 Adenosine receptor A1 Homo sapiens 7 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267576&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582725 104114386 CHEMBL489639 ZINC40949776 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455371 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1 YKPCEENRZZBDMC-STHLEMNDSA-N 50267577 CHEMBL489640::N6-((+/-)-endo-norborn-2-yl)adenosine Adenosine receptor A1 Homo sapiens 0.54 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267577&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10021483 104114387 CHEMBL489640 ZINC34095537 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455372 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C17H22ClN5O4/c18-17-21-14(20-9-4-7-1-2-8(9)3-7)11-15(22-17)23(6-19-11)16-13(26)12(25)10(5-24)27-16/h6-10,12-13,16,24-26H,1-5H2,(H,20,21,22)/t7?,8?,9?,10-,12-,13-,16-/m1/s1 AEOCPQUDPJKEQV-NNBIHLJJSA-N 50267578 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(beta-D-ribofuranosyl)adenine::CHEMBL490250 Adenosine receptor A1 Homo sapiens 0.71 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267578&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44582726 104114388 CHEMBL490250 ZINC40950072 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50451118 Fc1ccc(CNc2nc(NCc3ccc(F)cc3)n3nc(nc3n2)-c2ccco2)cc1 InChI=1S/C22H17F2N7O/c23-16-7-3-14(4-8-16)12-25-20-28-21(26-13-15-5-9-17(24)10-6-15)31-22(29-20)27-19(30-31)18-2-1-11-32-18/h1-11H,12-13H2,(H2,25,26,27,28,29,30) AUVBDTQCKUVYRW-UHFFFAOYSA-N 50137637 CHEMBL3754080 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137637&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036977 104027780 CHEMBL3754080 ZINC13588528 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50451119 Fc1ccc(CNc2nc(NCc3ccccc3)nc3nc(nn23)-c2ccco2)cc1 InChI=1S/C22H18FN7O/c23-17-10-8-16(9-11-17)14-25-21-27-20(24-13-15-5-2-1-3-6-15)28-22-26-19(29-30(21)22)18-7-4-12-31-18/h1-12H,13-14H2,(H2,24,25,26,27,28,29) PKKYZWGIYWKCJR-UHFFFAOYSA-N 50137636 CHEMBL3752432 Adenosine receptor A1 Homo sapiens 1490 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137636&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036976 104027779 CHEMBL3752432 ZINC13588525 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50451120 Fc1ccc(CNc2nc(NC3CCCCC3)nc3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H22FN7O/c22-15-10-8-14(9-11-15)13-23-20-26-19(24-16-5-2-1-3-6-16)27-21-25-18(28-29(20)21)17-7-4-12-30-17/h4,7-12,16H,1-3,5-6,13H2,(H2,23,24,25,26,27,28) MFDDHVJCVCVPIP-UHFFFAOYSA-N 50137635 CHEMBL3754124 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137635&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036846 104027778 CHEMBL3754124 ZINC53257702 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455434 Nc1nc(C(=O)NCc2ccccc2)c2cccc(F)c2n1 InChI=1S/C16H13FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22)(H2,18,20,21) FDHGUGPDCVKNFJ-UHFFFAOYSA-N 50139778 CHEMBL3764613 Adenosine receptor A1 Homo sapiens 83 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139778&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127040562 336952340 CHEMBL3764613 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455436 Nc1nc(C(=O)NCC2CCCCC2)c2cccc(F)c2n1 InChI=1S/C16H19FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,22)(H2,18,20,21) OPVPJFZOIIIYNM-UHFFFAOYSA-N 50139779 CHEMBL3765526 Adenosine receptor A1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139779&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127040563 336952341 CHEMBL3765526 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455437 Cc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)c1 InChI=1S/C17H15FN4O/c1-10-4-2-5-11(8-10)9-20-16(23)15-12-6-3-7-13(18)14(12)21-17(19)22-15/h2-8H,9H2,1H3,(H,20,23)(H2,19,21,22) HXRIKMSRKFZFAO-UHFFFAOYSA-N 50139780 CHEMBL3763215 Adenosine receptor A1 Homo sapiens 112 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139780&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127040564 336952342 CHEMBL3763215 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455438 Cc1ccccc1CNC(=O)c1nc(N)nc2c(F)cccc12 InChI=1S/C17H15FN4O/c1-10-5-2-3-6-11(10)9-20-16(23)15-12-7-4-8-13(18)14(12)21-17(19)22-15/h2-8H,9H2,1H3,(H,20,23)(H2,19,21,22) IORIPXRYROCUAR-UHFFFAOYSA-N 50139781 CHEMBL3764697 Adenosine receptor A1 Homo sapiens 116 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139781&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127042140 336952343 CHEMBL3764697 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455440 Nc1nc(C(=O)NCCc2ccccn2)c2cccc(F)c2n1 InChI=1S/C16H14FN5O/c17-12-6-3-5-11-13(12)21-16(18)22-14(11)15(23)20-9-7-10-4-1-2-8-19-10/h1-6,8H,7,9H2,(H,20,23)(H2,18,21,22) OWTHFOIINWQHDP-UHFFFAOYSA-N 50139782 CHEMBL3763234 Adenosine receptor A1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139782&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127042141 336952344 CHEMBL3763234 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455442 Nc1nc(C(=O)NCCc2ccccc2)c2cccc(F)c2n1 InChI=1S/C17H15FN4O/c18-13-8-4-7-12-14(13)21-17(19)22-15(12)16(23)20-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,23)(H2,19,21,22) LIVASSWTJBJKEA-UHFFFAOYSA-N 50139785 CHEMBL3764249 Adenosine receptor A1 Homo sapiens 559 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139785&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127042479 104029597 CHEMBL3764249 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455443 C[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12 InChI=1S/C20H16FN5O/c1-11(13-7-2-5-12-6-4-10-23-16(12)13)24-19(27)18-14-8-3-9-15(21)17(14)25-20(22)26-18/h2-11H,1H3,(H,24,27)(H2,22,25,26)/t11-/m1/s1 SBXPUBIKBOERFX-LLVKDONJSA-N 50139798 CHEMBL3763766::US10138212, Example 88 Adenosine receptor A1 Homo sapiens 57 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139798&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122485306 104029610 CHEMBL3763766 ZINC13559436 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455444 C[C@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12 InChI=1S/C20H16FN5O/c1-11(13-7-2-5-12-6-4-10-23-16(12)13)24-19(27)18-14-8-3-9-15(21)17(14)25-20(22)26-18/h2-11H,1H3,(H,24,27)(H2,22,25,26)/t11-/m0/s1 SBXPUBIKBOERFX-NSHDSACASA-N 50139800 CHEMBL3763668 Adenosine receptor A1 Homo sapiens 524 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139800&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127038545 104029612 CHEMBL3763668 ZINC04591823 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455445 Nc1nc(C(=O)NCc2cccc3ccccc23)c2cccc(F)c2n1 InChI=1S/C20H15FN4O/c21-16-10-4-9-15-17(16)24-20(22)25-18(15)19(26)23-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,23,26)(H2,22,24,25) MWGFLSPTHRLSKW-UHFFFAOYSA-N 50139804 CHEMBL3765449 Adenosine receptor A1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127040015 104029616 8768 CHEMBL3765449 7290 ZINC12496506 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455448 Nc1nc(C(=O)NCc2cccc3CCCNc23)c2cccc(F)c2n1 InChI=1S/C19H18FN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-2,4-5,7-8,22H,3,6,9-10H2,(H,23,26)(H2,21,24,25) QNAZZEIEVRORQM-UHFFFAOYSA-N 50139806 CHEMBL3764486::US10138212, Example 90 Adenosine receptor A1 Homo sapiens 213 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139806&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122485307 336952345 CHEMBL3764486 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455449 Nc1nc(C(=O)NCc2cccc3OCCOc23)c2cccc(F)c2n1 InChI=1S/C18H15FN4O3/c19-12-5-2-4-11-14(12)22-18(20)23-15(11)17(24)21-9-10-3-1-6-13-16(10)26-8-7-25-13/h1-6H,7-9H2,(H,21,24)(H2,20,22,23) CHARXOGFUOHHIQ-UHFFFAOYSA-N 50139810 CHEMBL3763972 Adenosine receptor A1 Homo sapiens 103 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139810&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127040016 104029621 CHEMBL3763972 ZINC03875544 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455450 Nc1nc(C(=O)NCc2cccc3NCCOc23)c2cccc(F)c2n1 InChI=1S/C18H16FN5O2/c19-12-5-2-4-11-14(12)23-18(20)24-15(11)17(25)22-9-10-3-1-6-13-16(10)26-8-7-21-13/h1-6,21H,7-9H2,(H,22,25)(H2,20,23,24) DGCHPJZKYSTJRK-UHFFFAOYSA-N 50139813 CHEMBL3763434::US10138212, Example 84 Adenosine receptor A1 Homo sapiens 135 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139813&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122445018 336952346 CHEMBL3763434 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455452 Nc1nc(C(=O)NCc2cccc3[nH]cnc23)c2cccc(F)c2n1 InChI=1S/C17H13FN6O/c18-11-5-2-4-10-14(11)23-17(19)24-15(10)16(25)20-7-9-3-1-6-12-13(9)22-8-21-12/h1-6,8H,7H2,(H,20,25)(H,21,22)(H2,19,23,24) VYLSCEYEEGPBTA-UHFFFAOYSA-N 50139814 CHEMBL3764397 Adenosine receptor A1 Homo sapiens 281 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139814&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127038566 336952347 CHEMBL3764397 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455454 CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 InChI=1S/C19H17FN6O/c1-2-26-10-23-15-11(5-3-8-14(15)26)9-22-18(27)17-12-6-4-7-13(20)16(12)24-19(21)25-17/h3-8,10H,2,9H2,1H3,(H,22,27)(H2,21,24,25) LMHRKKARHMUHMN-UHFFFAOYSA-N 50139815 CHEMBL3764687 Adenosine receptor A1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139815&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041015 336952348 CHEMBL3764687 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455455 Nc1nc(C(=O)NCc2cccc3cc[nH]c23)c2cccc(F)c2n1 InChI=1S/C18H14FN5O/c19-13-6-2-5-12-15(13)23-18(20)24-16(12)17(25)22-9-11-4-1-3-10-7-8-21-14(10)11/h1-8,21H,9H2,(H,22,25)(H2,20,23,24) KZRLBTMBHBDMRQ-UHFFFAOYSA-N 50139816 CHEMBL3765062 Adenosine receptor A1 Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139816&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041016 336952349 CHEMBL3765062 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455456 Nc1nc(C(=O)NCc2cccc3CNC(=O)c23)c2cccc(F)c2n1 InChI=1S/C18H14FN5O2/c19-12-6-2-5-11-14(12)23-18(20)24-15(11)17(26)22-8-10-4-1-3-9-7-21-16(25)13(9)10/h1-6H,7-8H2,(H,21,25)(H,22,26)(H2,20,23,24) FIBSWIHKNWCKJD-UHFFFAOYSA-N 50139817 CHEMBL3765164 Adenosine receptor A1 Homo sapiens 5.4 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139817&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041017 336952350 CHEMBL3765164 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455457 Nc1nc(C(=O)NCc2ccnc3ccccc23)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-14-6-3-5-13-16(14)24-19(21)25-17(13)18(26)23-10-11-8-9-22-15-7-2-1-4-12(11)15/h1-9H,10H2,(H,23,26)(H2,21,24,25) BQHGWRPXRSWRDK-UHFFFAOYSA-N 50139818 CHEMBL3765399 Adenosine receptor A1 Homo sapiens 10000 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139818&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041018 336952351 CHEMBL3765399 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455475 Nc1nc(C(=O)NCc2cncc3ccccc23)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-15-7-3-6-14-16(15)24-19(21)25-17(14)18(26)23-10-12-9-22-8-11-4-1-2-5-13(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) RQZUYDYUBHXPNR-UHFFFAOYSA-N 50139819 CHEMBL3764081 Adenosine receptor A1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139819&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127038890 336952352 CHEMBL3764081 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455476 Nc1nc(C(=O)NCc2nccc3ccccc23)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-14-7-3-6-13-16(14)24-19(21)25-17(13)18(26)23-10-15-12-5-2-1-4-11(12)8-9-22-15/h1-9H,10H2,(H,23,26)(H2,21,24,25) GPVIWBXVHNPRED-UHFFFAOYSA-N 50139820 CHEMBL3765268::US10138212, Example 89 Adenosine receptor A1 Homo sapiens 84 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139820&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122485308 336952353 CHEMBL3765268 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50451147 CNc1nc(NCc2ccc(F)cc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C16H14FN7O/c1-18-14-21-15(19-9-10-4-6-11(17)7-5-10)24-16(22-14)20-13(23-24)12-3-2-8-25-12/h2-8H,9H2,1H3,(H2,18,19,20,21,22,23) MXCUPECTZIYFES-UHFFFAOYSA-N 50137634 CHEMBL3752753 Adenosine receptor A1 Homo sapiens 3080 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137634&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036845 104027777 CHEMBL3752753 ZINC13588529 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50451148 C(Nc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1)c1ccccc1 InChI=1S/C22H19N7O/c1-3-8-16(9-4-1)14-23-20-26-21(24-15-17-10-5-2-6-11-17)29-22(27-20)25-19(28-29)18-12-7-13-30-18/h1-13H,14-15H2,(H2,23,24,25,26,27,28) VWEYZPFNBQUCID-UHFFFAOYSA-N 50137633 CHEMBL3754573 Adenosine receptor A1 Homo sapiens 784 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137633&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036844 104027776 CHEMBL3754573 ZINC03817243 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50451149 CC(C)Nc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C18H19N7O/c1-12(2)20-16-22-17(19-11-13-7-4-3-5-8-13)25-18(23-16)21-15(24-25)14-9-6-10-26-14/h3-10,12H,11H2,1-2H3,(H2,19,20,21,22,23,24) JAHXLVSZGUHXNI-UHFFFAOYSA-N 50137632 CHEMBL3754718 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137632&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036812 104027775 CHEMBL3754718 ZINC13588510 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50451150 CNc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C16H15N7O/c1-17-14-20-15(18-10-11-6-3-2-4-7-11)23-16(21-14)19-13(22-23)12-8-5-9-24-12/h2-9H,10H2,1H3,(H2,17,18,19,20,21,22) NFFSPNMENJFRJZ-UHFFFAOYSA-N 50137631 CHEMBL3754336 Adenosine receptor A1 Homo sapiens 2770 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137631&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036811 104027774 CHEMBL3754336 ZINC13588518 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50451151 C(Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1)c1ccccc1 InChI=1S/C21H23N7O/c1-3-8-15(9-4-1)14-22-19-25-20(23-16-10-5-2-6-11-16)28-21(26-19)24-18(27-28)17-12-7-13-29-17/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H2,22,23,24,25,26,27) CBMMILLJUHOOQT-UHFFFAOYSA-N 50137630 CHEMBL3753690 Adenosine receptor A1 Homo sapiens 64 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137630&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036810 104027773 CHEMBL3753690 ZINC13588515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50451152 C1CCC(CC1)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 InChI=1S/C20H27N7O/c1-3-8-14(9-4-1)21-18-24-19(22-15-10-5-2-6-11-15)27-20(25-18)23-17(26-27)16-12-7-13-28-16/h7,12-15H,1-6,8-11H2,(H2,21,22,23,24,25,26) VJFXMMSUQDAMEU-UHFFFAOYSA-N 50137536 CHEMBL3753384 Adenosine receptor A1 Homo sapiens 306 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137536&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035834 336952030 CHEMBL3753384 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455481 Nc1nc(C(=O)NCc2ccc3ccccc3n2)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-14-6-3-5-13-16(14)24-19(21)25-17(13)18(26)22-10-12-9-8-11-4-1-2-7-15(11)23-12/h1-9H,10H2,(H,22,26)(H2,21,24,25) LADJNJVHQNUVQZ-UHFFFAOYSA-N 50139821 CHEMBL3764552 Adenosine receptor A1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139821&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041019 336952354 CHEMBL3764552 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455482 COc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 InChI=1S/C20H16FN5O2/c1-28-15-8-9-23-16-11(4-2-5-12(15)16)10-24-19(27)18-13-6-3-7-14(21)17(13)25-20(22)26-18/h2-9H,10H2,1H3,(H,24,27)(H2,22,25,26) VJONUBCNSKUVKZ-UHFFFAOYSA-N 50139830 CHEMBL3763374 Adenosine receptor A1 Homo sapiens 69 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139830&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041635 336952355 CHEMBL3763374 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455485 CCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 InChI=1S/C21H18FN5O2/c1-2-29-16-9-10-24-17-12(5-3-6-13(16)17)11-25-20(28)19-14-7-4-8-15(22)18(14)26-21(23)27-19/h3-10H,2,11H2,1H3,(H,25,28)(H2,23,26,27) IXOYUGLITMOWAV-UHFFFAOYSA-N 50139831 CHEMBL3764812 Adenosine receptor A1 Homo sapiens 252 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139831&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041636 336952356 CHEMBL3764812 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455492 CCCCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 InChI=1S/C23H22FN5O2/c1-2-3-12-31-18-10-11-26-19-14(6-4-7-15(18)19)13-27-22(30)21-16-8-5-9-17(24)20(16)28-23(25)29-21/h4-11H,2-3,12-13H2,1H3,(H,27,30)(H2,25,28,29) MLMXORBEZPDELJ-UHFFFAOYSA-N 50139832 CHEMBL3763647 Adenosine receptor A1 Homo sapiens 748 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139832&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041637 336952357 CHEMBL3763647 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455496 Nc1nc(C(=O)NCc2cccc3c(ccnc23)C(=O)N2CCN(CC2)c2ccccc2)c2cccc(F)c2n1 InChI=1S/C30H26FN7O2/c31-24-11-5-10-23-26(24)35-30(32)36-27(23)28(39)34-18-19-6-4-9-21-22(12-13-33-25(19)21)29(40)38-16-14-37(15-17-38)20-7-2-1-3-8-20/h1-13H,14-18H2,(H,34,39)(H2,32,35,36) HXAXJWAXDGSVLG-UHFFFAOYSA-N 50139833 CHEMBL3763829 Adenosine receptor A1 Homo sapiens 6003 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139833&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041638 336952358 CHEMBL3763829 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455506 CN(CCCc1ccccn1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1 InChI=1S/C29H26FN7O2/c1-37(14-6-10-21-9-2-3-13-32-21)28(39)20-15-18-7-4-8-19(24(18)33-17-20)16-34-27(38)26-22-11-5-12-23(30)25(22)35-29(31)36-26/h2-5,7-9,11-13,15,17H,6,10,14,16H2,1H3,(H,34,38)(H2,31,35,36) XFDPYXCMDIVHGP-UHFFFAOYSA-N 50139834 CHEMBL3763871 Adenosine receptor A1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139834&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041935 336952359 CHEMBL3763871 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455536 Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)NCCCCCc2ccccc2)c2cccc(F)c2n1 InChI=1S/C31H29FN6O2/c32-25-15-8-14-24-27(25)37-31(33)38-28(24)30(40)36-18-22-13-7-12-21-17-23(19-35-26(21)22)29(39)34-16-6-2-5-11-20-9-3-1-4-10-20/h1,3-4,7-10,12-15,17,19H,2,5-6,11,16,18H2,(H,34,39)(H,36,40)(H2,33,37,38) UVHNHXMAXCQYMP-UHFFFAOYSA-N 50139835 CHEMBL3765424 Adenosine receptor A1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139835&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041936 336952360 CHEMBL3765424 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455548 Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCCc3ccccc23)c2cccc(F)c2n1 InChI=1S/C29H23FN6O2/c30-22-11-4-10-21-25(22)34-29(31)35-26(21)27(37)33-15-19-8-3-7-18-14-20(16-32-24(18)19)28(38)36-13-5-9-17-6-1-2-12-23(17)36/h1-4,6-8,10-12,14,16H,5,9,13,15H2,(H,33,37)(H2,31,34,35) WKZDIXJLBNRISL-UHFFFAOYSA-N 50139836 CHEMBL3763969 Adenosine receptor A1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139836&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127042899 336952361 CHEMBL3763969 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455568 COCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1 InChI=1S/C33H32FN7O4/c1-44-16-17-45-25-10-8-24(9-11-25)40-12-14-41(15-13-40)32(43)23-18-21-4-2-5-22(28(21)36-20-23)19-37-31(42)30-26-6-3-7-27(34)29(26)38-33(35)39-30/h2-11,18,20H,12-17,19H2,1H3,(H,37,42)(H2,35,38,39) XPGISRLOZOMIJJ-UHFFFAOYSA-N 50139837 CHEMBL3764598 Adenosine receptor A1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139837&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127042900 336952362 CHEMBL3764598 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455569 Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCN(CC2)c2ccccn2)c2cccc(F)c2n1 InChI=1S/C29H25FN8O2/c30-22-8-4-7-21-25(22)35-29(31)36-26(21)27(39)34-16-19-6-3-5-18-15-20(17-33-24(18)19)28(40)38-13-11-37(12-14-38)23-9-1-2-10-32-23/h1-10,15,17H,11-14,16H2,(H,34,39)(H2,31,35,36) WLYOQVKDDTUQHJ-UHFFFAOYSA-N 50139838 CHEMBL3763514 Adenosine receptor A1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139838&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127041044 336952363 CHEMBL3763514 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50458898 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1 InChI=1S/C22H20N4O4/c1-25-18-12-17(24-19(18)20(27)26(2)22(25)29)15-10-8-14(9-11-15)13-30-21(28)23-16-6-4-3-5-7-16/h3-12,24H,13H2,1-2H3,(H,23,28) COBHXZIKLYWMLS-UHFFFAOYSA-N 50258620 CHEMBL512290::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl phenylcarbamate Adenosine receptor A1 Homo sapiens 2.2 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258620&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44574117 104109248 CHEMBL512290 ZINC40896956 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50458899 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1 InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-19(18)20(28)27(2)22(26)30)14-5-3-13(4-6-14)12-31-21(29)24-16-9-7-15(23)8-10-16/h3-11,25H,12H2,1-2H3,(H,24,29) XOGGWMKIGUYGPC-UHFFFAOYSA-N 50258621 CHEMBL469119::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl-4-fluorophenylcarbamate Adenosine receptor A1 Homo sapiens 17.8 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258621&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44574118 104109249 CHEMBL469119 ZINC40395321 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50458900 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1 InChI=1S/C20H18N4O4S/c1-23-16-9-15(22-17(16)18(25)24(2)20(23)27)13-5-3-12(4-6-13)10-28-19(26)21-14-7-8-29-11-14/h3-9,11,22H,10H2,1-2H3,(H,21,26) CRYQUEMGJRNSNJ-UHFFFAOYSA-N 50258672 CHEMBL513681::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl thiophen-3-ylcarbamate Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258672&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44574165 104109296 CHEMBL513681 ZINC40394815 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50458901 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1 InChI=1S/C26H28N4O4/c1-3-14-29-22-16-21(28-23(22)24(31)30(15-4-2)26(29)33)19-12-10-18(11-13-19)17-34-25(32)27-20-8-6-5-7-9-20/h5-13,16,28H,3-4,14-15,17H2,1-2H3,(H,27,32) DUUGGDGHFBNLHS-UHFFFAOYSA-N 50258709 CHEMBL466021::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl phenylcarbamate Adenosine receptor A1 Homo sapiens 20.4 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258709&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44574194 104109328 CHEMBL466021 ZINC40880201 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50458902 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1 InChI=1S/C26H27FN4O4/c1-3-13-30-22-15-21(29-23(22)24(32)31(14-4-2)26(30)34)18-7-5-17(6-8-18)16-35-25(33)28-20-11-9-19(27)10-12-20/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,33) NSUAESZFZHYVHU-UHFFFAOYSA-N 50258734 CHEMBL512276::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 4-fluorophenylcarbamate Adenosine receptor A1 Homo sapiens 0.4 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258734&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44574222 104109346 CHEMBL512276 ZINC40875952 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50454690 COc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O InChI=1S/C15H11N5O3/c1-23-10-6-4-9(5-7-10)20-15(22)19-11-3-2-8-16-12(11)17-14(21)13(19)18-20/h2-8H,1H3,(H,16,17,21) GBTIKVGSZHUAOZ-UHFFFAOYSA-N 50256925 2-(4-methoxyphenyl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazine-1,4(2H,5H)-dione::CHEMBL475791 Adenosine receptor A1 Homo sapiens 114 ChEMBL 10.1021/jm8014876 10.7270/Q2X63MVV 19301821 Colotta, V; Lenzi, O; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Traini, C; Pedata, F; Morizzo, E; Moro, S Universita di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256925&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 42625924 104108232 CHEMBL475791 ZINC40916242 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50454714 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A1 Homo sapiens 6200 ChEMBL 10.1021/jm8014876 10.7270/Q2X63MVV 19301821 Colotta, V; Lenzi, O; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Traini, C; Pedata, F; Morizzo, E; Moro, S Universita di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50454717 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1021/jm8014876 10.7270/Q2X63MVV 19301821 Colotta, V; Lenzi, O; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Traini, C; Pedata, F; Morizzo, E; Moro, S Universita di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452847 O=C(N(C(=O)c1ccco1)c1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1 InChI=1S/C25H15N5O4S/c31-24(18-9-4-12-33-18)30(25(32)19-10-5-13-34-19)23-21-17(26-22(27-23)20-11-6-14-35-20)15-29(28-21)16-7-2-1-3-8-16/h1-15H PJRZFTAEAPSVMB-UHFFFAOYSA-N 50138721 CHEMBL3753976 Adenosine receptor A1 Homo sapiens 687 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138721&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11368991 85499378 CHEMBL3753976 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452848 O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccnc1 InChI=1S/C21H14N6OS/c28-21(14-6-4-10-22-12-14)25-20-18-16(23-19(24-20)17-9-5-11-29-17)13-27(26-18)15-7-2-1-3-8-15/h1-13H,(H,23,24,25,28) DAGXJYRYKMTHGV-UHFFFAOYSA-N 50138715 CHEMBL3753642 Adenosine receptor A1 Homo sapiens 764 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138715&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10333474 85499298 CHEMBL3753642 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452849 O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccs1 InChI=1S/C20H13N5OS2/c26-20(16-9-5-11-28-16)23-19-17-14(21-18(22-19)15-8-4-10-27-15)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26) QQCKOEVQNPLGAF-UHFFFAOYSA-N 50138714 CHEMBL3752862 Adenosine receptor A1 Homo sapiens 466 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138714&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11222157 85498825 CHEMBL3752862 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452850 O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1 InChI=1S/C20H13N5O2S/c26-20(15-8-4-10-27-15)23-19-17-14(21-18(22-19)16-9-5-11-28-16)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26) YEICTKKFFRIURH-UHFFFAOYSA-N 50138713 CHEMBL3751978 Adenosine receptor A1 Homo sapiens 552 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138713&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11150772 85498824 CHEMBL3751978 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452851 Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5/c19-18-17-15(12-23(22-17)14-9-5-2-6-10-14)20-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21) MLXRXENPLDYOCG-UHFFFAOYSA-N 50427584 CHEMBL2322918 Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427584&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71601632 164156459 CHEMBL2322918 ZINC95580878 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452852 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20) OSXQTDKHWVGIFS-UHFFFAOYSA-N 50427585 CHEMBL2322917 Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427585&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71601631 164156460 CHEMBL2322917 ZINC95581129 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452853 Cc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15) VCJVBLBICBKOAH-UHFFFAOYSA-N 50427586 CHEMBL2322916 Adenosine receptor A1 Homo sapiens 70 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427586&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71601630 164156461 CHEMBL2322916 ZINC95582590 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452854 Cc1nc(N)c2nn(nc2n1)-c1ccccc1 InChI=1S/C11H10N6/c1-7-13-10(12)9-11(14-7)16-17(15-9)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,14,16) DWPZGORPGUVEOG-UHFFFAOYSA-N 50138723 CHEMBL3753083 Adenosine receptor A1 Homo sapiens 213 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138723&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11289541 85499297 CHEMBL3753083 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452855 Nc1nc(Cc2cccs2)nc2cn(nc12)-c1ccccc1 InChI=1S/C16H13N5S/c17-16-15-13(10-21(20-15)11-5-2-1-3-6-11)18-14(19-16)9-12-7-4-8-22-12/h1-8,10H,9H2,(H2,17,18,19) GGFFHVCJJXLYQJ-UHFFFAOYSA-N 50138724 CHEMBL3753291 Adenosine receptor A1 Homo sapiens 400 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138724&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44349520 85498960 CHEMBL3753291 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452856 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1 InChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18) XXEHHKXNADFXES-UHFFFAOYSA-N 50138722 CHEMBL3754656 Adenosine receptor A1 Homo sapiens 52 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138722&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11231509 85499377 CHEMBL3754656 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50452857 Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccccc1 InChI=1S/C18H15N5/c19-17-16-15(20-18(21-17)14-9-5-2-6-10-14)12-23(22-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21) JUMNPIKDLASLQF-UHFFFAOYSA-N 50138466 CHEMBL3753937 Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44365461 85539103 CHEMBL3753937 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450739 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15) PKVBGKUACUZPER-UHFFFAOYSA-N 50094701 2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL342059 Adenosine receptor A1 Homo sapiens 101 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094701&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10587109 103992577 CHEMBL342059 ZINC13672019 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450791 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A1 Homo sapiens 594 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450793 CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23) GWHGVYPWMAAHQK-UHFFFAOYSA-N 50137535 CHEMBL3753698 Adenosine receptor A1 Homo sapiens 801 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137535&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035833 336952029 CHEMBL3753698 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450794 CNc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 InChI=1S/C15H19N7O/c1-16-13-19-14(17-10-6-3-2-4-7-10)22-15(20-13)18-12(21-22)11-8-5-9-23-11/h5,8-10H,2-4,6-7H2,1H3,(H2,16,17,18,19,20,21) IGCQNEVNGQSBBH-UHFFFAOYSA-N 50137534 CHEMBL3754333 Adenosine receptor A1 Homo sapiens 361 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137534&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035832 104027679 CHEMBL3754333 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450795 Fc1ccc(CNc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H15FN6O2/c22-15-10-8-14(9-11-15)13-23-19-25-21(30-16-5-2-1-3-6-16)26-20-24-18(27-28(19)20)17-7-4-12-29-17/h1-12H,13H2,(H,23,24,25,26,27) OREYFLNDMNRUND-UHFFFAOYSA-N 50137533 CHEMBL3753103 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137533&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036642 104027678 CHEMBL3753103 ZINC29329176 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450796 C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1 InChI=1S/C21H16N6O2/c1-3-8-15(9-4-1)14-22-19-24-21(29-16-10-5-2-6-11-16)25-20-23-18(26-27(19)20)17-12-7-13-28-17/h1-13H,14H2,(H,22,23,24,25,26) DIMJKIOOMFMVOO-UHFFFAOYSA-N 50137532 CHEMBL3752965 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137532&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036641 104027677 CHEMBL3752965 ZINC29322395 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450797 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1 InChI=1S/C20H20N6O2/c1-3-8-14(9-4-1)21-18-23-20(28-15-10-5-2-6-11-15)24-19-22-17(25-26(18)19)16-12-7-13-27-16/h2,5-7,10-14H,1,3-4,8-9H2,(H,21,22,23,24,25) BODOXDQXJDANSO-UHFFFAOYSA-N 50137531 CHEMBL3753118 Adenosine receptor A1 Homo sapiens 757 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137531&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036640 104027676 CHEMBL3753118 ZINC29332485 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450798 O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 InChI=1S/C23H19N7O2/c31-19(14-16-8-3-1-4-9-16)25-22-27-21(24-15-17-10-5-2-6-11-17)28-23-26-20(29-30(22)23)18-12-7-13-32-18/h1-13H,14-15H2,(H2,24,25,26,27,28,29,31) XDBHEXCFNGFAMS-UHFFFAOYSA-N 50137530 CHEMBL3753079 Adenosine receptor A1 Homo sapiens 676 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137530&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035806 104027675 CHEMBL3753079 ZINC29329933 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450831 O=C(Cc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1 InChI=1S/C22H23N7O2/c30-18(14-15-8-3-1-4-9-15)24-21-26-20(23-16-10-5-2-6-11-16)27-22-25-19(28-29(21)22)17-12-7-13-31-17/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H2,23,24,25,26,27,28,30) FLEMRKBTYOJIRL-UHFFFAOYSA-N 50137529 CHEMBL3754417 Adenosine receptor A1 Homo sapiens 1010 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137529&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035805 104027674 CHEMBL3754417 ZINC29329952 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450837 CC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C19H19N7O2/c1-12(2)20-17-23-18(21-15(27)11-13-7-4-3-5-8-13)26-19(24-17)22-16(25-26)14-9-6-10-28-14/h3-10,12H,11H2,1-2H3,(H2,20,21,22,23,24,25,27) DDBNUUGAISIDIP-UHFFFAOYSA-N 50137515 CHEMBL3752488 Adenosine receptor A1 Homo sapiens 7150 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137515&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035804 336952016 CHEMBL3752488 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450838 CNc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C17H15N7O2/c1-18-15-21-16(19-13(25)10-11-6-3-2-4-7-11)24-17(22-15)20-14(23-24)12-8-5-9-26-12/h2-9H,10H2,1H3,(H2,18,19,20,21,22,23,25) UIJTUNGBZZGOBB-UHFFFAOYSA-N 50137516 CHEMBL3754704 Adenosine receptor A1 Homo sapiens 8960 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137516&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035803 336952017 CHEMBL3754704 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450839 O=C(Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1 InChI=1S/C22H17N7O2/c30-19(16-10-5-2-6-11-16)25-22-27-20(23-14-15-8-3-1-4-9-15)26-21-24-18(28-29(21)22)17-12-7-13-31-17/h1-13H,14H2,(H2,23,24,25,26,27,28,30) WCSVRVISKLMGQV-UHFFFAOYSA-N 50137517 CHEMBL3752342 Adenosine receptor A1 Homo sapiens 1450 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137517&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036933 336952018 CHEMBL3752342 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450840 O=C(Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1)c1ccccc1 InChI=1S/C21H21N7O2/c29-18(14-8-3-1-4-9-14)24-21-26-19(22-15-10-5-2-6-11-15)25-20-23-17(27-28(20)21)16-12-7-13-30-16/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2,(H2,22,23,24,25,26,27,29) TVJWAQDNHMFKFF-UHFFFAOYSA-N 50137518 CHEMBL3752421 Adenosine receptor A1 Homo sapiens 7560 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137518&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036742 336952019 CHEMBL3752421 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450841 CC(C)Nc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C18H17N7O2/c1-11(2)19-16-22-17-20-14(13-9-6-10-27-13)24-25(17)18(23-16)21-15(26)12-7-4-3-5-8-12/h3-11H,1-2H3,(H2,19,20,21,22,23,24,26) BUASTGDZJIEJAC-UHFFFAOYSA-N 50137519 CHEMBL3754760 Adenosine receptor A1 Homo sapiens 24400 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137519&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036741 336952020 CHEMBL3754760 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450842 CNc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C16H13N7O2/c1-17-14-20-15-18-12(11-8-5-9-25-11)22-23(15)16(21-14)19-13(24)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24) HFNKEYSOOSBXSY-UHFFFAOYSA-N 50137520 CHEMBL3753604 Adenosine receptor A1 Homo sapiens 10500 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137520&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036740 336952021 CHEMBL3753604 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450843 O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 InChI=1S/C22H18N8O2/c31-22(24-16-10-5-2-6-11-16)28-21-27-19(23-14-15-8-3-1-4-9-15)26-20-25-18(29-30(20)21)17-12-7-13-32-17/h1-13H,14H2,(H3,23,24,25,26,27,28,29,31) BKGGNZPNCWNCBQ-UHFFFAOYSA-N 50137521 CHEMBL3752621 Adenosine receptor A1 Homo sapiens 311 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137521&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035626 336952022 CHEMBL3752621 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450844 O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1 InChI=1S/C21H22N8O2/c30-21(23-15-10-5-2-6-11-15)27-20-26-18(22-14-8-3-1-4-9-14)25-19-24-17(28-29(19)20)16-12-7-13-31-16/h2,5-7,10-14H,1,3-4,8-9H2,(H3,22,23,24,25,26,27,28,30) PBXFOUQUQNIFAX-UHFFFAOYSA-N 50137522 CHEMBL3753012 Adenosine receptor A1 Homo sapiens 946 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137522&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035625 336952023 CHEMBL3753012 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450845 CC(C)Nc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C18H18N8O2/c1-11(2)19-15-22-16-21-14(13-9-6-10-28-13)25-26(16)17(23-15)24-18(27)20-12-7-4-3-5-8-12/h3-11H,1-2H3,(H3,19,20,21,22,23,24,25,27) UDOOWYNSRLPYAH-UHFFFAOYSA-N 50137523 CHEMBL3754685 Adenosine receptor A1 Homo sapiens 1180 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137523&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127035624 336952024 CHEMBL3754685 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450846 CNc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C16H14N8O2/c1-17-13-20-14-19-12(11-8-5-9-26-11)23-24(14)15(21-13)22-16(25)18-10-6-3-2-4-7-10/h2-9H,1H3,(H3,17,18,19,20,21,22,23,25) ZATUCPRBMVYFLY-UHFFFAOYSA-N 50137524 CHEMBL3754353 Adenosine receptor A1 Homo sapiens 3850 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137524&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127036438 336952025 CHEMBL3754353 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450965 Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 InChI=1S/C15H13N7O/c16-13-19-14(17-9-10-5-2-1-3-6-10)20-15-18-12(21-22(13)15)11-7-4-8-23-11/h1-8H,9H2,(H3,16,17,18,19,20,21) BCJLRYNWJFOABF-UHFFFAOYSA-N 50137528 CHEMBL3752514 Adenosine receptor A1 Homo sapiens 95 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137528&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9839545 104027673 CHEMBL3752514 ZINC29326453 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50450995 Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1 InChI=1S/C14H17N7O/c15-12-18-13(16-9-5-2-1-3-6-9)19-14-17-11(20-21(12)14)10-7-4-8-22-10/h4,7-9H,1-3,5-6H2,(H3,15,16,17,18,19,20) KTRATDJORYAFKA-UHFFFAOYSA-N 50137527 CHEMBL3752431 Adenosine receptor A1 Homo sapiens 138 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137527&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15729970 336952028 CHEMBL3752431 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455288 Nc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1 InChI=1S/C20H16N4O/c21-18-11-16(15-8-1-2-9-17(15)24-18)20(25)23-12-14-6-3-5-13-7-4-10-22-19(13)14/h1-11H,12H2,(H2,21,24)(H,23,25) YFALKJSXAAGGLK-UHFFFAOYSA-N 50139654 CHEMBL3765387 Adenosine receptor A1 Homo sapiens 17620 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139654&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127026187 104029486 CHEMBL3765387 ZINC27871494 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455289 Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1 InChI=1S/C19H15N5O/c20-19-23-15-9-2-1-8-14(15)17(24-19)18(25)22-11-13-6-3-5-12-7-4-10-21-16(12)13/h1-10H,11H2,(H,22,25)(H2,20,23,24) NAJMQZHVNVHXHN-UHFFFAOYSA-N 50139653 CHEMBL3765818 Adenosine receptor A1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139653&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127026188 104029485 CHEMBL3765818 ZINC13589559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455291 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) NKBDQIYAOAYCQN-UHFFFAOYSA-N 50139655 CHEMBL3764083 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139655&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127025020 104029487 CHEMBL3764083 ZINC13589548 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455293 Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1 InChI=1S/C19H14FN5O/c20-13-6-7-14-15(9-13)24-19(21)25-17(14)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) JHWYFIOMMXUNLT-UHFFFAOYSA-N 50139748 CHEMBL3763717 Adenosine receptor A1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139748&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127025021 336952325 CHEMBL3763717 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455294 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)ccc2n1 InChI=1S/C19H14FN5O/c20-13-6-7-15-14(9-13)17(25-19(21)24-15)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) FXEKVOFVBKRJOU-UHFFFAOYSA-N 50139751 CHEMBL3764467 Adenosine receptor A1 Homo sapiens 346 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139751&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127025022 336952326 CHEMBL3764467 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455296 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Cl)c2n1 InChI=1S/C19H14ClN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) PLPSXOGQVXXHEJ-UHFFFAOYSA-N 50139752 CHEMBL3764434::US10138212, Example 91 Adenosine receptor A1 Homo sapiens 213 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139752&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122444939 336952327 CHEMBL3764434 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455299 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Br)c2n1 InChI=1S/C19H14BrN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) ZGGUPIXOOBTEEK-UHFFFAOYSA-N 50139765 CHEMBL3763830::US10138212, Example 96 Adenosine receptor A1 Homo sapiens 10.0 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139765&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122444992 336952328 CHEMBL3763830 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455300 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(I)c2n1 InChI=1S/C19H14IN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) YEWWDZNGTIGCDT-UHFFFAOYSA-N 50139766 CHEMBL3764070 Adenosine receptor A1 Homo sapiens 33 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139766&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127025023 336952329 CHEMBL3764070 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455301 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(c2n1)C(F)(F)F InChI=1S/C20H14F3N5O/c21-20(22,23)14-8-2-7-13-16(14)27-19(24)28-17(13)18(29)26-10-12-5-1-4-11-6-3-9-25-15(11)12/h1-9H,10H2,(H,26,29)(H2,24,27,28) VNFYEAXYLYCUEQ-UHFFFAOYSA-N 50139767 CHEMBL3763199::US10138212, Example 92 Adenosine receptor A1 Homo sapiens 1299 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139767&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122444991 336952330 CHEMBL3763199 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455313 CSc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12 InChI=1S/C20H17N5OS/c1-27-15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25) DVGQDYYVGLUGNW-UHFFFAOYSA-N 50139768 CHEMBL3763806::US10138212, Example 94 Adenosine receptor A1 Homo sapiens 132 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139768&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122444941 336952331 CHEMBL3763806 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455316 CS(=O)(=O)c1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12 InChI=1S/C20H17N5O3S/c1-29(27,28)15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25) YPBFJYIQXMDNOG-UHFFFAOYSA-N 50139769 CHEMBL3764006::US10138212, Example 95 Adenosine receptor A1 Homo sapiens 4743 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139769&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122445001 336952332 CHEMBL3764006 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455320 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(C#N)c2n1 InChI=1S/C20H14N6O/c21-10-13-5-2-8-15-17(13)25-20(22)26-18(15)19(27)24-11-14-6-1-4-12-7-3-9-23-16(12)14/h1-9H,11H2,(H,24,27)(H2,22,25,26) YACYXBXLISLWRE-UHFFFAOYSA-N 50139770 CHEMBL3763571::US10138212, Example 100 Adenosine receptor A1 Homo sapiens 337 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139770&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122444930 336952333 CHEMBL3763571 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455321 COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12 InChI=1S/C20H17N5O2/c1-27-15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25) QUKCQGCIXGTFIF-UHFFFAOYSA-N 50139771 CHEMBL3765580::US10138212, Example 12 Adenosine receptor A1 Homo sapiens 6.0 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139771&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122444945 336952334 CHEMBL3765580 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455323 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1 InChI=1S/C20H14F3N5O2/c21-20(22,23)30-14-8-2-7-13-16(14)27-19(24)28-17(13)18(29)26-10-12-5-1-4-11-6-3-9-25-15(11)12/h1-9H,10H2,(H,26,29)(H2,24,27,28) GVEURWJFYNZAPS-UHFFFAOYSA-N 50139773 CHEMBL3765379::US10138212, Example 101 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139773&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122444974 336952335 CHEMBL3765379 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455325 Cn1nccc1-c1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12 InChI=1S/C23H19N7O/c1-30-18(10-12-27-30)16-8-3-9-17-20(16)28-23(24)29-21(17)22(31)26-13-15-6-2-5-14-7-4-11-25-19(14)15/h2-12H,13H2,1H3,(H,26,31)(H2,24,28,29) HBBCOXFAYIQYMN-UHFFFAOYSA-N 50139774 CHEMBL3764736 Adenosine receptor A1 Homo sapiens 6037 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139774&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127038919 336952336 CHEMBL3764736 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455326 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(-c3cncnc3)c2n1 InChI=1S/C23H17N7O/c24-23-29-20-17(16-10-25-13-26-11-16)7-2-8-18(20)21(30-23)22(31)28-12-15-5-1-4-14-6-3-9-27-19(14)15/h1-11,13H,12H2,(H,28,31)(H2,24,29,30) KOGRSSNNCJISAU-UHFFFAOYSA-N 50139775 CHEMBL3764945::US10138212, Example 97 Adenosine receptor A1 Homo sapiens 6300 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139775&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122444937 336952337 CHEMBL3764945 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455327 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(Cl)cc(Cl)c2n1 InChI=1S/C19H13Cl2N5O/c20-12-7-13-16(14(21)8-12)25-19(22)26-17(13)18(27)24-9-11-4-1-3-10-5-2-6-23-15(10)11/h1-8H,9H2,(H,24,27)(H2,22,25,26) VFXYYNOEPIQROX-UHFFFAOYSA-N 50139776 CHEMBL3764338 Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139776&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127040561 336952338 CHEMBL3764338 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50455328 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)c(F)cc2n1 InChI=1S/C19H13F2N5O/c20-13-7-12-15(8-14(13)21)25-19(22)26-17(12)18(27)24-9-11-4-1-3-10-5-2-6-23-16(10)11/h1-8H,9H2,(H,24,27)(H2,22,25,26) RFBOIDHBCYJRIH-UHFFFAOYSA-N 50139777 CHEMBL3764260 Adenosine receptor A1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139777&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127038901 336952339 CHEMBL3764260 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471840 O[C@@H]1CCC[C@H]1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSc2ccccc2F)[C@@H](O)[C@H]1O InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1 IZRXENCTXNMAMI-DIJFLQFKSA-N 50149592 CVT-3619::GS-9667 Adenosine receptor A1 Homo sapiens 1100 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149592&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6916127 85638831 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471841 O[C@@H]1CCC[C@H]1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSc2ccccc2F)[C@@H](O)[C@H]1O InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1 IZRXENCTXNMAMI-DIJFLQFKSA-N 50149592 CVT-3619::GS-9667 Adenosine receptor A1 Homo sapiens 113 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149592&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6916127 85638831 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471842 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 1000 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471843 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 14487 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenine-beta-D-arabinofuranoside::Adenosine::CHEMBL477::N6-Methylado::[U-14C]adenosine::cid_191::cid_60961 Adenosine receptor A1 Homo sapiens 2512 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14487&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ADN 4LCA,4LC4,3KW2,4IMA,1FMO,6RVZ,7R39,4JKU,4JKS,1Q97,1PG2,2GL0,6FBO,6FBP,4D9H,4O0W,4O0U,4O0S,4PGF,7LD3,5M5K,1XWF,4LBX,4LBG,3REQ,7DCW,6D9H,3UQ6,3F8W,1PK7,5B6I,5US8,7T6F,4CKJ,4CKI,4PFJ,1DGM,1N3Z,4OGR,5M66,4LVC,1WU8,3G1U,1VHW,2EVA,1MRJ,1MRG,1BX4,2C49,8AXZ,4PEV,2A8T,2X1L,3N58,4IP7,2W03,1RMT,2FQY,1LII,1LIK,4PD9,5TDM,6EXI,7O5L,6BQ4,5LW1,5XOO,5KB6,5KB5,3OND,2X0P,2YDO,4ZME,7O5M,3WDM,5TDZ,6SHU,3UBO,7ZD9,5UTU,3QGZ,8HDP,5MVS,2ZBV,2ZBU,8BZV,7LD4,6Y9U,6SO9,5AXA,7BF3,3U40,3UAY,3UAW,8EWY,2JC9,6FEK,5TOW,1YI4,2B82,6F3M,6F3N,4DC3,5A1I,5KM9,5LVN,3GRV,2KQD,2KQE,1MUO,2AC7,2PKM,4K87,4K8P,4K8T,4K8C,4K8K,4X3M,3AY0,6BNI,6WKS,6J5Z,6GBN,1Z37,5HJI,7ZD8,7ZD7,7ZD4,7ZD3,7ZD2,7ZD1,7ZD0,3O1X,3O1C,7F7C,1JDV,1JG2,3VAQ,6NRZ,4K9C,4K9I,4K93,4KBE,3AXZ,2ZGW,7MXC,3O0Q,3H9U,4E3A,5HM8,3OI8,4KTV,3VAS,1ODI,3FUU,2OA1,4XDR,4O8J,7F7D,2DOJ,6APH,1V8B,1D4F,5AQF,5UVM,6UK3,2EJG,2EJF,2B8J,3CE6,5V96,5AQY,6TTP,3QWU,2Q6K,6HXS,1UAY,4UCI,1JG3,4H2F,4H2G,6FCD,6P9V,2PGF,4DTA,4DT8,3ZTV,4KAH,4KAL,4KAN,4KAD,4XJ7,6YMJ,4N09,2Q83,1HO5,7P7F 60961 172097241 16335 CHEMBL477 DB00640 C00212 ZINC02169830 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471844 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A1 Homo sapiens 200 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471845 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A1 Homo sapiens 630957 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471846 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12 InChI=1S/C20H27N5O4/c26-7-13-15(27)16(28)19(29-13)25-9-23-14-17(21-8-22-18(14)25)24-20-4-10-1-11(5-20)3-12(2-10)6-20/h8-13,15-16,19,26-28H,1-7H2,(H,21,22,24)/t10?,11?,12?,13-,15-,16-,19-,20?/m1/s1 MDGMBQHQTSWNDG-CXXVZFNBSA-N 50149593 CHEMBL3771290 Adenosine receptor A1 Homo sapiens 15849 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149593&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 18629299 85597715 CHEMBL3771290 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471847 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14-,15-,16-,18-,19-,22-/m1/s1 XSVRBMOJKPAIJX-NKYRPOHVSA-N 50149594 CHEMBL3771208 Adenosine receptor A1 Homo sapiens 1585 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149594&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11322361 85597674 CHEMBL3771208 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471848 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12 InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9-,11-,12-,15-/m1/s1 GYWXTRVEUURNEW-QDYOZFCWSA-N 50080399 (2R,3R,4S,5R)-2-[6-((1R,2R)-2-Hydroxy-cyclopentylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL116903 Adenosine receptor A1 Homo sapiens 631 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080399&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44343895 103980570 CHEMBL116903 ZINC03794578 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471849 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12 InChI=1S/C22H30N6O4/c1-2-23-20(31)17-15(29)16(30)21(32-17)28-10-26-14-18(24-9-25-19(14)28)27-22-6-11-3-12(7-22)5-13(4-11)8-22/h9-13,15-17,21,29-30H,2-8H2,1H3,(H,23,31)(H,24,25,27)/t11?,12?,13?,15-,16+,17-,21+,22?/m0/s1 KBISSEWJTWXZIM-BQGIJUPPSA-N 50149595 CHEMBL3770664 Adenosine receptor A1 Homo sapiens 3981 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149595&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21608544 85597714 CHEMBL3770664 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471850 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(O)(C5)C3)C4)ncnc12 InChI=1S/C22H30N6O5/c1-2-23-19(31)16-14(29)15(30)20(33-16)28-10-26-13-17(24-9-25-18(13)28)27-21-4-11-3-12(5-21)7-22(32,6-11)8-21/h9-12,14-16,20,29-30,32H,2-8H2,1H3,(H,23,31)(H,24,25,27)/t11?,12?,14-,15+,16-,20+,21?,22?/m0/s1 SGRMKEOJKLIHFE-DXZNPHBGSA-N 50149596 CHEMBL3769641 Adenosine receptor A1 Homo sapiens 100000 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149596&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44392975 85597619 CHEMBL3769641 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471851 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CC5CC(C4)CC3C5)ncnc12 InChI=1S/C22H30N6O4/c1-2-23-21(31)18-16(29)17(30)22(32-18)28-9-26-15-19(24-8-25-20(15)28)27-14-12-4-10-3-11(6-12)7-13(14)5-10/h8-14,16-18,22,29-30H,2-7H2,1H3,(H,23,31)(H,24,25,27)/t10?,11?,12?,13?,14?,16-,17+,18-,22+/m0/s1 AMWMZSDDXCAKJT-WTKUHYMBSA-N 50149597 CHEMBL3771184 Adenosine receptor A1 Homo sapiens 15849 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149597&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15870608 85597618 CHEMBL3771184 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471852 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 InChI=1S/C24H30N6O5/c1-2-25-23(33)20-18(31)19(32)24(35-20)30-13-28-17-21(26-12-27-22(17)30)29-15-9-6-10-16(15)34-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16,18-20,24,31-32H,2,6,9-11H2,1H3,(H,25,33)(H,26,27,29)/t15-,16-,18+,19-,20+,24-/m1/s1 LNEKDIPCQNTTNX-FUWISXPPSA-N 50149598 CHEMBL3770679 Adenosine receptor A1 Homo sapiens 1000 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149598&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10199066 85597761 CHEMBL3770679 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471853 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12 InChI=1S/C17H24N6O5/c1-2-18-16(27)13-11(25)12(26)17(28-13)23-7-21-10-14(19-6-20-15(10)23)22-8-4-3-5-9(8)24/h6-9,11-13,17,24-26H,2-5H2,1H3,(H,18,27)(H,19,20,22)/t8-,9-,11+,12-,13+,17-/m1/s1 UTIVUGWIKOLRER-OPMQXOKZSA-N 50149599 CHEMBL3770310 Adenosine receptor A1 Homo sapiens 316 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149599&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15272708 85597673 CHEMBL3770310 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471866 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 0.208930 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471867 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 14487 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenine-beta-D-arabinofuranoside::Adenosine::CHEMBL477::N6-Methylado::[U-14C]adenosine::cid_191::cid_60961 Adenosine receptor A1 Homo sapiens 2.3 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14487&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ADN 4LCA,4LC4,3KW2,4IMA,1FMO,6RVZ,7R39,4JKU,4JKS,1Q97,1PG2,2GL0,6FBO,6FBP,4D9H,4O0W,4O0U,4O0S,4PGF,7LD3,5M5K,1XWF,4LBX,4LBG,3REQ,7DCW,6D9H,3UQ6,3F8W,1PK7,5B6I,5US8,7T6F,4CKJ,4CKI,4PFJ,1DGM,1N3Z,4OGR,5M66,4LVC,1WU8,3G1U,1VHW,2EVA,1MRJ,1MRG,1BX4,2C49,8AXZ,4PEV,2A8T,2X1L,3N58,4IP7,2W03,1RMT,2FQY,1LII,1LIK,4PD9,5TDM,6EXI,7O5L,6BQ4,5LW1,5XOO,5KB6,5KB5,3OND,2X0P,2YDO,4ZME,7O5M,3WDM,5TDZ,6SHU,3UBO,7ZD9,5UTU,3QGZ,8HDP,5MVS,2ZBV,2ZBU,8BZV,7LD4,6Y9U,6SO9,5AXA,7BF3,3U40,3UAY,3UAW,8EWY,2JC9,6FEK,5TOW,1YI4,2B82,6F3M,6F3N,4DC3,5A1I,5KM9,5LVN,3GRV,2KQD,2KQE,1MUO,2AC7,2PKM,4K87,4K8P,4K8T,4K8C,4K8K,4X3M,3AY0,6BNI,6WKS,6J5Z,6GBN,1Z37,5HJI,7ZD8,7ZD7,7ZD4,7ZD3,7ZD2,7ZD1,7ZD0,3O1X,3O1C,7F7C,1JDV,1JG2,3VAQ,6NRZ,4K9C,4K9I,4K93,4KBE,3AXZ,2ZGW,7MXC,3O0Q,3H9U,4E3A,5HM8,3OI8,4KTV,3VAS,1ODI,3FUU,2OA1,4XDR,4O8J,7F7D,2DOJ,6APH,1V8B,1D4F,5AQF,5UVM,6UK3,2EJG,2EJF,2B8J,3CE6,5V96,5AQY,6TTP,3QWU,2Q6K,6HXS,1UAY,4UCI,1JG3,4H2F,4H2G,6FCD,6P9V,2PGF,4DTA,4DT8,3ZTV,4KAH,4KAL,4KAN,4KAD,4XJ7,6YMJ,4N09,2Q83,1HO5,7P7F 60961 172097241 16335 CHEMBL477 DB00640 C00212 ZINC02169830 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471868 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A1 Homo sapiens 0.501187 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471869 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12 InChI=1S/C20H27N5O4/c26-7-13-15(27)16(28)19(29-13)25-9-23-14-17(21-8-22-18(14)25)24-20-4-10-1-11(5-20)3-12(2-10)6-20/h8-13,15-16,19,26-28H,1-7H2,(H,21,22,24)/t10?,11?,12?,13-,15-,16-,19-,20?/m1/s1 MDGMBQHQTSWNDG-CXXVZFNBSA-N 50149593 CHEMBL3771290 Adenosine receptor A1 Homo sapiens 19 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149593&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 18629299 85597715 CHEMBL3771290 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471870 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14-,15-,16-,18-,19-,22-/m1/s1 XSVRBMOJKPAIJX-NKYRPOHVSA-N 50149594 CHEMBL3771208 Adenosine receptor A1 Homo sapiens 0.676083 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149594&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11322361 85597674 CHEMBL3771208 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471871 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12 InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9-,11-,12-,15-/m1/s1 GYWXTRVEUURNEW-QDYOZFCWSA-N 50080399 (2R,3R,4S,5R)-2-[6-((1R,2R)-2-Hydroxy-cyclopentylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL116903 Adenosine receptor A1 Homo sapiens 4.4 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080399&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44343895 103980570 CHEMBL116903 ZINC03794578 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471872 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12 InChI=1S/C22H30N6O4/c1-2-23-20(31)17-15(29)16(30)21(32-17)28-10-26-14-18(24-9-25-19(14)28)27-22-6-11-3-12(7-22)5-13(4-11)8-22/h9-13,15-17,21,29-30H,2-8H2,1H3,(H,23,31)(H,24,25,27)/t11?,12?,13?,15-,16+,17-,21+,22?/m0/s1 KBISSEWJTWXZIM-BQGIJUPPSA-N 50149595 CHEMBL3770664 Adenosine receptor A1 Homo sapiens 2.9 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149595&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21608544 85597714 CHEMBL3770664 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471873 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(O)(C5)C3)C4)ncnc12 InChI=1S/C22H30N6O5/c1-2-23-19(31)16-14(29)15(30)20(33-16)28-10-26-13-17(24-9-25-18(13)28)27-21-4-11-3-12(5-21)7-22(32,6-11)8-21/h9-12,14-16,20,29-30,32H,2-8H2,1H3,(H,23,31)(H,24,25,27)/t11?,12?,14-,15+,16-,20+,21?,22?/m0/s1 SGRMKEOJKLIHFE-DXZNPHBGSA-N 50149596 CHEMBL3769641 Adenosine receptor A1 Homo sapiens 37 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149596&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44392975 85597619 CHEMBL3769641 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471874 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CC5CC(C4)CC3C5)ncnc12 InChI=1S/C22H30N6O4/c1-2-23-21(31)18-16(29)17(30)22(32-18)28-9-26-15-19(24-8-25-20(15)28)27-14-12-4-10-3-11(6-12)7-13(14)5-10/h8-14,16-18,22,29-30H,2-7H2,1H3,(H,23,31)(H,24,25,27)/t10?,11?,12?,13?,14?,16-,17+,18-,22+/m0/s1 AMWMZSDDXCAKJT-WTKUHYMBSA-N 50149597 CHEMBL3771184 Adenosine receptor A1 Homo sapiens 0.398107 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149597&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15870608 85597618 CHEMBL3771184 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471875 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 InChI=1S/C24H30N6O5/c1-2-25-23(33)20-18(31)19(32)24(35-20)30-13-28-17-21(26-12-27-22(17)30)29-15-9-6-10-16(15)34-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16,18-20,24,31-32H,2,6,9-11H2,1H3,(H,25,33)(H,26,27,29)/t15-,16-,18+,19-,20+,24-/m1/s1 LNEKDIPCQNTTNX-FUWISXPPSA-N 50149598 CHEMBL3770679 Adenosine receptor A1 Homo sapiens 0.029512 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149598&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10199066 85597761 CHEMBL3770679 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50471876 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12 InChI=1S/C17H24N6O5/c1-2-18-16(27)13-11(25)12(26)17(28-13)23-7-21-10-14(19-6-20-15(10)23)22-8-4-3-5-9(8)24/h6-9,11-13,17,24-26H,2-5H2,1H3,(H,18,27)(H,19,20,22)/t8-,9-,11+,12-,13+,17-/m1/s1 UTIVUGWIKOLRER-OPMQXOKZSA-N 50149599 CHEMBL3770310 Adenosine receptor A1 Homo sapiens 6.2 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149599&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15272708 85597673 CHEMBL3770310 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50477332 CC(C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 InChI=1S/C23H27NO3/c1-15(2)14-24-16(3)12-19-13-20(25)9-10-21(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,13,15-16,23,25H,12,14H2,1-3H3,(H,26,27)/b11-6+/t16-,23-/m1/s1 WHZIOQODOSOYPX-DGIIRHPGSA-N 50153658 CHEMBL3775378 Adenosine receptor A1 Homo sapiens 29000 ChEMBL 10.1021/acsmedchemlett.5b00413 10.7270/Q2HD7XHZ 26819673 Scott, JS; Bailey, A; Davies, RD; Degorce, SL; MacFaul, PA; Gingell, H; Moss, T; Norman, RA; Pink, JH; Rabow, AA; Roberts, B; Smith, PD AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153658&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search GQD 5FQP 127034153 340133258 CHEMBL3775378 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50480749 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 0.500 ChEMBL 10.1016/j.bmc.2016.03.006 10.7270/Q2J67JS7 26988801 Waszkielewicz, AM; Gunia-Krzyzak, A; Powroznik, B; Sloczynska, K; Pekala, E; Walczak, M; Bednarski, M; Zeslawska, E; Nitek, W; Marona, H Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50472137 Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1 InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3/b9-5+ ZKHUZIGQNHJVGZ-WEVVVXLNSA-N 50284689 7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenoxymethyl]-phenyl}-vinyl)-quinoline::CHEMBL28902::CP-96486 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/0960-894X(95)00227-K 10.7270/Q2M045D5 Marfat, A; Chambers, R; Cheng, J; Cooper, K; Damon, D; Delehunt, J; Eggler, J; Masamune, H; Melvin, L; Watson, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50284689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50284689&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9870702 104126260 CHEMBL28902 ZINC03802559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50472144 COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35) YEEZWCHGZNKEEK-UHFFFAOYSA-N 50009073 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide::CHEMBL603::ZAFIRLUKAST::cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate::cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/0960-894X(95)00227-K 10.7270/Q2M045D5 Marfat, A; Chambers, R; Cheng, J; Cooper, K; Damon, D; Delehunt, J; Eggler, J; Masamune, H; Melvin, L; Watson, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009073&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZLK 6RZ5 5717 103922131 10100 CHEMBL603 DB00549 3322 C07206 ZINC00896717 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50472151 Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+ DXTYGLAQRALLEG-LFYBBSHMSA-N 50284690 1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]-benzyloxy}-phenyl)-2-methyl-1H-imidazo[4,5-c]pyridine::CHEMBL31714::CP-96021 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/0960-894X(95)00227-K 10.7270/Q2M045D5 Marfat, A; Chambers, R; Cheng, J; Cooper, K; Damon, D; Delehunt, J; Eggler, J; Masamune, H; Melvin, L; Watson, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50284690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50284690&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9848518 104126261 CHEMBL31714 ZINC03802549 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50470041 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 14487 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenine-beta-D-arabinofuranoside::Adenosine::CHEMBL477::N6-Methylado::[U-14C]adenosine::cid_191::cid_60961 Adenosine receptor A1 Homo sapiens 310 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14487&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ADN 4LCA,4LC4,3KW2,4IMA,1FMO,6RVZ,7R39,4JKU,4JKS,1Q97,1PG2,2GL0,6FBO,6FBP,4D9H,4O0W,4O0U,4O0S,4PGF,7LD3,5M5K,1XWF,4LBX,4LBG,3REQ,7DCW,6D9H,3UQ6,3F8W,1PK7,5B6I,5US8,7T6F,4CKJ,4CKI,4PFJ,1DGM,1N3Z,4OGR,5M66,4LVC,1WU8,3G1U,1VHW,2EVA,1MRJ,1MRG,1BX4,2C49,8AXZ,4PEV,2A8T,2X1L,3N58,4IP7,2W03,1RMT,2FQY,1LII,1LIK,4PD9,5TDM,6EXI,7O5L,6BQ4,5LW1,5XOO,5KB6,5KB5,3OND,2X0P,2YDO,4ZME,7O5M,3WDM,5TDZ,6SHU,3UBO,7ZD9,5UTU,3QGZ,8HDP,5MVS,2ZBV,2ZBU,8BZV,7LD4,6Y9U,6SO9,5AXA,7BF3,3U40,3UAY,3UAW,8EWY,2JC9,6FEK,5TOW,1YI4,2B82,6F3M,6F3N,4DC3,5A1I,5KM9,5LVN,3GRV,2KQD,2KQE,1MUO,2AC7,2PKM,4K87,4K8P,4K8T,4K8C,4K8K,4X3M,3AY0,6BNI,6WKS,6J5Z,6GBN,1Z37,5HJI,7ZD8,7ZD7,7ZD4,7ZD3,7ZD2,7ZD1,7ZD0,3O1X,3O1C,7F7C,1JDV,1JG2,3VAQ,6NRZ,4K9C,4K9I,4K93,4KBE,3AXZ,2ZGW,7MXC,3O0Q,3H9U,4E3A,5HM8,3OI8,4KTV,3VAS,1ODI,3FUU,2OA1,4XDR,4O8J,7F7D,2DOJ,6APH,1V8B,1D4F,5AQF,5UVM,6UK3,2EJG,2EJF,2B8J,3CE6,5V96,5AQY,6TTP,3QWU,2Q6K,6HXS,1UAY,4UCI,1JG3,4H2F,4H2G,6FCD,6P9V,2PGF,4DTA,4DT8,3ZTV,4KAH,4KAL,4KAN,4KAD,4XJ7,6YMJ,4N09,2Q83,1HO5,7P7F 60961 172097241 16335 CHEMBL477 DB00640 C00212 ZINC02169830 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50470048 CCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H18N6O3/c1-2-14-3-6-8(19)9(20)12(21-6)18-5-17-7-10(13)15-4-16-11(7)18/h4-6,8-9,12,14,19-20H,2-3H2,1H3,(H2,13,15,16)/t6-,8-,9-,12-/m1/s1 MOZBWPNPQUIIOP-WOUKDFQISA-N 50148580 CHEMBL3770601 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148580&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44345662 85489012 CHEMBL3770601 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50470050 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1 RIRGCFBBHQEQQH-SSFGXONLSA-N 50118810 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL139000::N6-[(R)-1-Methyl-2-phenylethyl]ado (R-PIA)::R-N6-(phenylisopropyl)adenosine Adenosine receptor A1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118810&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 93205 104012073 CHEMBL139000 415 ZINC04475322 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50470052 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C16H23N5O3/c1-2-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-5-3-4-6-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 JINVIIJODLXFHF-XNIJJKJLSA-N 108255 US8609833, 86 Adenosine receptor A1 Homo sapiens 0.970000 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108255&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11610599 186525125 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50470053 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 SQMWSBKSHWARHU-SDBHATRESA-N 25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378 Adenosine receptor A1 Homo sapiens 5.9 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25400&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3GU 3GU8 657378 56374539 CHEMBL68738 ZINC03995996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50470054 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 51 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494921 COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccco1 InChI=1S/C17H15N5O2/c1-23-13-6-3-2-5-11(13)9-22-10-12-15(21-22)16(18)20-17(19-12)14-7-4-8-24-14/h2-8,10H,9H2,1H3,(H2,18,19,20) AQMYJLYXFKJXMD-UHFFFAOYSA-N 50168099 CHEMBL3798766 Adenosine receptor A1 Homo sapiens 106 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168099&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046493 341104488 CHEMBL3798766 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494922 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1 InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20) WXADNPIZOQQAEO-UHFFFAOYSA-N 50168107 CHEMBL3798754 Adenosine receptor A1 Homo sapiens 152 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168107&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046495 341104496 CHEMBL3798754 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494923 COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccc(C)o1 InChI=1S/C18H17N5O2/c1-11-7-8-15(25-11)18-20-13-10-23(22-16(13)17(19)21-18)9-12-5-3-4-6-14(12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21) ISSQUAKPAHUUNQ-UHFFFAOYSA-N 50168108 CHEMBL3799351 Adenosine receptor A1 Homo sapiens 21 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168108&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046496 341104497 CHEMBL3799351 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494924 COc1cccc(Cn2cc3nc(nc(N)c3n2)-c2ccc(C)o2)c1 InChI=1S/C18H17N5O2/c1-11-6-7-15(25-11)18-20-14-10-23(22-16(14)17(19)21-18)9-12-4-3-5-13(8-12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21) TWUUVOAFXFRSQO-UHFFFAOYSA-N 50168101 CHEMBL3800587 Adenosine receptor A1 Homo sapiens 134 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168101&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046050 341104490 CHEMBL3800587 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494929 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3F)cc2n1 InChI=1S/C17H14FN5O/c1-10-6-7-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-4-2-3-5-12(11)18/h2-7,9H,8H2,1H3,(H2,19,20,21) BRLCUIOYTLHZJF-UHFFFAOYSA-N 50168102 CHEMBL3797666 Adenosine receptor A1 Homo sapiens 309 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168102&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045699 341104491 CHEMBL3797666 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494930 Cc1ccc(o1)-c1nc(N)c2nn(Cc3cccc(F)c3)cc2n1 InChI=1S/C17H14FN5O/c1-10-5-6-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-3-2-4-12(18)7-11/h2-7,9H,8H2,1H3,(H2,19,20,21) QGMRAKXTMHZKRI-UHFFFAOYSA-N 50168103 CHEMBL3798214 Adenosine receptor A1 Homo sapiens 252 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168103&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045700 341104492 CHEMBL3798214 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494931 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3Cl)cc2n1 InChI=1S/C17H14ClN5O/c1-10-6-7-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-4-2-3-5-12(11)18/h2-7,9H,8H2,1H3,(H2,19,20,21) BPQMICPWRXHIJI-UHFFFAOYSA-N 50168104 CHEMBL3799848 Adenosine receptor A1 Homo sapiens 60 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168104&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045701 341104493 CHEMBL3799848 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494932 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3O)cc2n1 InChI=1S/C17H15N5O2/c1-10-6-7-14(24-10)17-19-12-9-22(21-15(12)16(18)20-17)8-11-4-2-3-5-13(11)23/h2-7,9,23H,8H2,1H3,(H2,18,19,20) LEZBSAGRBMBCGD-UHFFFAOYSA-N 50168105 CHEMBL3799921 Adenosine receptor A1 Homo sapiens 111 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168105&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045909 341104494 CHEMBL3799921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494933 Cc1ccc(o1)-c1nc(N)c2nn(Cc3cccc(O)c3)cc2n1 InChI=1S/C17H15N5O2/c1-10-5-6-14(24-10)17-19-13-9-22(21-15(13)16(18)20-17)8-11-3-2-4-12(23)7-11/h2-7,9,23H,8H2,1H3,(H2,18,19,20) HJZUMFPLMMDYPJ-UHFFFAOYSA-N 50168106 CHEMBL3800254 Adenosine receptor A1 Homo sapiens 65 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168106&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045910 341104495 CHEMBL3800254 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494941 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1 InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20) WXADNPIZOQQAEO-UHFFFAOYSA-N 50168107 CHEMBL3798754 Adenosine receptor A1 Homo sapiens 136 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168107&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046495 341104496 CHEMBL3798754 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494942 Nc1nc(nc2cn(Cc3ccccc3O)nc12)-c1ccco1 InChI=1S/C16H13N5O2/c17-15-14-11(18-16(19-15)13-6-3-7-23-13)9-21(20-14)8-10-4-1-2-5-12(10)22/h1-7,9,22H,8H2,(H2,17,18,19) LFQIONJTAIBNFA-UHFFFAOYSA-N 50168100 CHEMBL3798383 Adenosine receptor A1 Homo sapiens 242 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168100&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046494 341104489 CHEMBL3798383 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494943 COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccco1 InChI=1S/C17H15N5O2/c1-23-13-6-3-2-5-11(13)9-22-10-12-15(21-22)16(18)20-17(19-12)14-7-4-8-24-14/h2-8,10H,9H2,1H3,(H2,18,19,20) AQMYJLYXFKJXMD-UHFFFAOYSA-N 50168099 CHEMBL3798766 Adenosine receptor A1 Homo sapiens 98 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168099&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046493 341104488 CHEMBL3798766 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494944 Nc1nc(nc2cn(nc12)-c1ccccc1O)-c1cccs1 InChI=1S/C15H11N5OS/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18) CKHUVQWKDJVMTD-UHFFFAOYSA-N 50168112 CHEMBL3800218 Adenosine receptor A1 Homo sapiens 159 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168112&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046438 341104501 CHEMBL3800218 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494945 Cc1ccc(o1)-c1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C16H13N5O/c1-10-7-8-13(22-10)16-18-12-9-21(11-5-3-2-4-6-11)20-14(12)15(17)19-16/h2-9H,1H3,(H2,17,18,19) NOGCWFVUNZLJDH-UHFFFAOYSA-N 50168113 CHEMBL3797433 Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168113&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045815 341104502 CHEMBL3797433 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494946 Nc1nc(nc2cn(nc12)-c1ccccc1O)-c1ccco1 InChI=1S/C15H11N5O2/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18) KBVHSEZTMVRCNH-UHFFFAOYSA-N 50168114 CHEMBL3799249 Adenosine receptor A1 Homo sapiens 372 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168114&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127047929 341104503 CHEMBL3799249 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494947 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccco1 InChI=1S/C15H11N5O/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18) GTENTXFTCULQOC-UHFFFAOYSA-N 50168111 CHEMBL3797284 Adenosine receptor A1 Homo sapiens 206 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168111&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127047927 341104500 CHEMBL3797284 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494948 Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1O InChI=1S/C18H15N5O/c19-18-17-13(11-23(22-17)14-8-4-5-9-15(14)24)20-16(21-18)10-12-6-2-1-3-7-12/h1-9,11,24H,10H2,(H2,19,20,21) UXGWRHXMVBGXEG-UHFFFAOYSA-N 50168115 CHEMBL3797927 Adenosine receptor A1 Homo sapiens 52 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168115&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127047805 341104504 CHEMBL3797927 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494949 COc1ccccc1-n1cc2nc(Cc3ccccc3)nc(N)c2n1 InChI=1S/C19H17N5O/c1-25-16-10-6-5-9-15(16)24-12-14-18(23-24)19(20)22-17(21-14)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,20,21,22) XXDBLTDAJLMTHP-UHFFFAOYSA-N 50168116 CHEMBL3799215 Adenosine receptor A1 Homo sapiens 103 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168116&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127047804 341104505 CHEMBL3799215 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494950 Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1O InChI=1S/C20H19N5O/c21-20-19-15(13-25(24-19)16-10-4-5-11-17(16)26)22-18(23-20)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,26H,6,9,12H2,(H2,21,22,23) UWIQZSRFCFCOGZ-UHFFFAOYSA-N 50168110 CHEMBL3799771 Adenosine receptor A1 Homo sapiens 17 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168110&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127047803 341104499 CHEMBL3799771 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494951 COc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1 InChI=1S/C21H21N5O/c1-27-18-12-6-5-11-17(18)26-14-16-20(25-26)21(22)24-19(23-16)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H2,22,23,24) JKHCHBLVGYHBMJ-UHFFFAOYSA-N 50168109 CHEMBL3800301 Adenosine receptor A1 Homo sapiens 49 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168109&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127047737 341104498 CHEMBL3800301 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494952 Cc1nc(N)c2nn(cc2n1)-c1ccccc1F InChI=1S/C12H10FN5/c1-7-15-9-6-18(17-11(9)12(14)16-7)10-5-3-2-4-8(10)13/h2-6H,1H3,(H2,14,15,16) YTUFVFWVQMBKRQ-UHFFFAOYSA-N 50168117 CHEMBL3800476 Adenosine receptor A1 Homo sapiens 410 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168117&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046301 341104506 CHEMBL3800476 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494953 Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5/c21-20-19-17(14-25(24-19)16-11-5-2-6-12-16)22-18(23-20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14H,7,10,13H2,(H2,21,22,23) QXNZRRSDCMNJDB-UHFFFAOYSA-N 50055094 CHEMBL3317574 Adenosine receptor A1 Homo sapiens 5.3 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055094&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 118708234 313069868 CHEMBL3317574 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494954 Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5/c19-18-17-15(12-23(22-17)14-9-5-2-6-10-14)20-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21) MLXRXENPLDYOCG-UHFFFAOYSA-N 50427584 CHEMBL2322918 Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427584&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71601632 164156459 CHEMBL2322918 ZINC95580878 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494955 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20) OSXQTDKHWVGIFS-UHFFFAOYSA-N 50427585 CHEMBL2322917 Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427585&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71601631 164156460 CHEMBL2322917 ZINC95581129 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494956 Cc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15) VCJVBLBICBKOAH-UHFFFAOYSA-N 50427586 CHEMBL2322916 Adenosine receptor A1 Homo sapiens 70 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427586&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 71601630 164156461 CHEMBL2322916 ZINC95582590 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494988 COc1cccc(Cn2cc3nc(nc(N)c3n2)-c2ccc(C)o2)c1 InChI=1S/C18H17N5O2/c1-11-6-7-15(25-11)18-20-14-10-23(22-16(14)17(19)21-18)9-12-4-3-5-13(8-12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21) TWUUVOAFXFRSQO-UHFFFAOYSA-N 50168101 CHEMBL3800587 Adenosine receptor A1 Homo sapiens 120 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168101&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046050 341104490 CHEMBL3800587 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50494989 COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccc(C)o1 InChI=1S/C18H17N5O2/c1-11-7-8-15(25-11)18-20-13-10-23(22-16(13)17(19)21-18)9-12-5-3-4-6-14(12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21) ISSQUAKPAHUUNQ-UHFFFAOYSA-N 50168108 CHEMBL3799351 Adenosine receptor A1 Homo sapiens 18 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168108&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127046496 341104497 CHEMBL3799351 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50487906 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 2.2 ChEMBL 10.1021/acs.jmedchem.5b01586 10.7270/Q2QF8VS9 26824742 El Maatougui, A; Azuaje, J; González-Gómez, M; Miguez, G; Crespo, A; Carbajales, C; Escalante, L; García-Mera, X; Gutiérrez-de-Terán, H; Sotelo, E Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50487907 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A1 Homo sapiens 683 ChEMBL 10.1021/acs.jmedchem.5b01586 10.7270/Q2QF8VS9 26824742 El Maatougui, A; Azuaje, J; González-Gómez, M; Miguez, G; Crespo, A; Carbajales, C; Escalante, L; García-Mera, X; Gutiérrez-de-Terán, H; Sotelo, E Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50491041 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(OC)nc(nc12)C#Cc1ccc(Cl)s1 InChI=1S/C20H18ClN5O4S/c1-22-19(29)20-7-10(20)14(15(27)16(20)28)26-8-23-13-17(26)24-12(25-18(13)30-2)6-4-9-3-5-11(21)31-9/h3,5,8,10,14-16,27-28H,7H2,1-2H3,(H,22,29)/t10-,14-,15+,16+,20+/m1/s1 AHQPOYBHVLTGSB-AQPYCOETSA-N 50163877 CHEMBL3799847 Adenosine receptor A1 Homo sapiens 796 ChEMBL 10.1021/acs.jmedchem.5b01998 10.7270/Q2WQ05PZ 26890707 Tosh, DK; Ciancetta, A; Warnick, E; O'Connor, R; Chen, Z; Gizewski, E; Crane, S; Gao, ZG; Auchampach, JA; Salvemini, D; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163877&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127047720 104049803 CHEMBL3799847 ZINC43082612 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50491043 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1ccc(F)c(F)c1 InChI=1S/C22H19F2N5O3/c1-10-16-20(28-15(27-10)6-4-11-3-5-13(23)14(24)7-11)29(9-26-16)17-12-8-22(12,21(32)25-2)19(31)18(17)30/h3,5,7,9,12,17-19,30-31H,8H2,1-2H3,(H,25,32)/t12-,17-,18+,19+,22+/m1/s1 KHDDTRVTHIJATC-KZJONUTISA-N 50163885 CHEMBL3800360 Adenosine receptor A1 Homo sapiens 5430 ChEMBL 10.1021/acs.jmedchem.5b01998 10.7270/Q2WQ05PZ 26890707 Tosh, DK; Ciancetta, A; Warnick, E; O'Connor, R; Chen, Z; Gizewski, E; Crane, S; Gao, ZG; Auchampach, JA; Salvemini, D; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163885&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127047827 104049811 CHEMBL3800360 ZINC36332095 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509234 COCc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 InChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22) MNNAJXPKIBKJNB-UHFFFAOYSA-N 50294501 2-amino-6-(furan-2-yl)-N-((6-(methoxymethyl)pyridin-2-yl)methyl)pyrimidine-4-carboxamide::CHEMBL564473 Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294501&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11739282 104136032 CHEMBL564473 ZINC36377722 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50504067 Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15) BIXYYZIIJIXVFW-UHFFFAOYSA-N 50008369 (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(2-CADO)::2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(2-chloroadenosine)::2-Chloroadenosine::CHEMBL285819::cid_8974 Adenosine receptor A1 Homo sapiens 18 ChEMBL 10.1021/np50094a001 10.7270/Q2VT1S4B 8496700 Sweetnam, PM; Caldwell, L; Lancaster, J; Jr., CB; McMillan, B; Kinnier, WJ; Price, CH TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50008369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50008369&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 235481 103921530 CHEMBL285819 ZINC04536057 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509562 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A1 Homo sapiens 220 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509563 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IRIUFVPPSHYZRM-PFHKOEEOSA-N 50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732 Adenosine receptor A1 Homo sapiens 193 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180197&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11813713 104065330 CHEMBL200732 ZINC28563903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509564 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O2S/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 QMJFSSNSVVHFPD-IXPVHAAZSA-N 50214974 (2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)tetrahydrothiophene3,4-diol::(2R,3R,4S)-2-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL413686 Adenosine receptor A1 Homo sapiens 2490 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214974&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16220189 104089791 CHEMBL413686 ZINC28656123 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509565 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 InChI=1S/C16H16BrN5O3/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 AMBOYCWPKZEJFM-AXAPSJFSSA-N 50294665 (2R,3R,4R)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL561855 Adenosine receptor A1 Homo sapiens 1060 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294665&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45267243 104136196 CHEMBL561855 ZINC43073757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509566 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C16H16IN5O3/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 DBOWVIYWCSBVDB-AXAPSJFSSA-N 50294666 (2R,3R,4R)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL549352 Adenosine receptor A1 Homo sapiens 795 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294666&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45269835 104136197 CHEMBL549352 ZINC43019486 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509567 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C16H15Cl2N5O3/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 PCYJILZJDFFIPA-IXPVHAAZSA-N 50294667 (2R,3R,4R)-2-(2-Chloro-6-(3-chlorobenzylamino)-9Hpurin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL549563 Adenosine receptor A1 Homo sapiens 2480 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294667&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45269838 104136198 CHEMBL549563 ZINC43019991 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509568 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 InChI=1S/C16H15BrClN5O3/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 BMUNWGDQGOJGOE-IXPVHAAZSA-N 50294668 (2R,3R,4R)-2-(2-Chloro-6-(3-bromobenzylamino)-9Hpurin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL561976 Adenosine receptor A1 Homo sapiens 1150 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294668&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25003341 104136199 CHEMBL561976 ZINC43076923 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509569 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O3/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 IYAFDRKTMVINNA-IXPVHAAZSA-N 50294669 (2R,3R,4R)-2-(2-Chloro-6-(3-iodobenzylamino)-9Hpurin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL558891 Adenosine receptor A1 Homo sapiens 2230 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294669&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9982930 104136200 CHEMBL558891 ZINC12405870 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512827 Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2cccc(O)c2)c1C#N InChI=1S/C17H12N6OS/c18-7-12-15(10-2-1-3-11(24)6-10)13(8-19)17(23-16(12)20)25-9-14-21-4-5-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22) YZZLLEXNNOPPIX-UHFFFAOYSA-N 50150078 2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)-pyridine-3,5-dicarbonitrile::CHEMBL122806 Adenosine receptor A1 Homo sapiens 4.4 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50150078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50150078&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9975036 104038611 CHEMBL122806 ZINC13580867 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50511915 C1CCN(C1)c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C15H15N5S/c1-2-6-11(7-3-1)18-15-19-12-13(20-8-4-5-9-20)16-10-17-14(12)21-15/h1-3,6-7,10H,4-5,8-9H2,(H,18,19) SEONSDFSIHPWGR-UHFFFAOYSA-N 50189050 CHEMBL3827207 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189050&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044681 346535003 CHEMBL3827207 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50511916 OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C16H17N5OS/c22-9-12-7-4-8-21(12)14-13-15(18-10-17-14)23-16(20-13)19-11-5-2-1-3-6-11/h1-3,5-6,10,12,22H,4,7-9H2,(H,19,20)/t12-/m0/s1 LCWNMXKDPVGZGX-LBPRGKRZSA-N 50189051 CHEMBL3828082 Adenosine receptor A1 Homo sapiens 555 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189051&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044855 346535004 CHEMBL3828082 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50511917 Clc1ccc(Nc2nc3c(ncnc3s2)N2CCCC2)cc1 InChI=1S/C15H14ClN5S/c16-10-3-5-11(6-4-10)19-15-20-12-13(21-7-1-2-8-21)17-9-18-14(12)22-15/h3-6,9H,1-2,7-8H2,(H,19,20) JZMYBXLGJITHJK-UHFFFAOYSA-N 50189052 CHEMBL3088334 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189052&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76320863 346535005 CHEMBL3088334 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50511918 OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccc(Cl)cc3)nc12 InChI=1S/C16H16ClN5OS/c17-10-3-5-11(6-4-10)20-16-21-13-14(18-9-19-15(13)24-16)22-7-1-2-12(22)8-23/h3-6,9,12,23H,1-2,7-8H2,(H,20,21)/t12-/m0/s1 OULZDKXPNGIVQB-LBPRGKRZSA-N 50189053 CHEMBL3828238 Adenosine receptor A1 Homo sapiens 629 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189053&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044283 346535006 CHEMBL3828238 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50511919 COc1ccc(Nc2nc3c(ncnc3s2)N2CCC[C@H]2CO)cc1 InChI=1S/C17H19N5O2S/c1-24-13-6-4-11(5-7-13)20-17-21-14-15(18-10-19-16(14)25-17)22-8-2-3-12(22)9-23/h4-7,10,12,23H,2-3,8-9H2,1H3,(H,20,21)/t12-/m0/s1 UTPNFCKIISZMII-LBPRGKRZSA-N 50189054 CHEMBL3828306 Adenosine receptor A1 Homo sapiens 713 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189054&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044795 104072774 CHEMBL3828306 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50511920 Cc1ccc(Nc2nc3c(ncnc3s2)N2CCCC2)cc1 InChI=1S/C16H17N5S/c1-11-4-6-12(7-5-11)19-16-20-13-14(21-8-2-3-9-21)17-10-18-15(13)22-16/h4-7,10H,2-3,8-9H2,1H3,(H,19,20) OKEHJXSCMXPKEY-UHFFFAOYSA-N 50189055 CHEMBL3828214 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189055&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044514 346535007 CHEMBL3828214 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50511921 Cc1ccc(Nc2nc3c(ncnc3s2)N2CCC[C@H]2CO)cc1 InChI=1S/C17H19N5OS/c1-11-4-6-12(7-5-11)20-17-21-14-15(18-10-19-16(14)24-17)22-8-2-3-13(22)9-23/h4-7,10,13,23H,2-3,8-9H2,1H3,(H,20,21)/t13-/m0/s1 GCPLTYKAGFKTDB-ZDUSSCGKSA-N 50189056 CHEMBL3828388 Adenosine receptor A1 Homo sapiens 399 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189056&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044515 346535008 CHEMBL3828388 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50511922 [O-][N+](=O)c1ccc(Nc2nc3c(ncnc3s2)N2CCCC2)cc1 InChI=1S/C15H14N6O2S/c22-21(23)11-5-3-10(4-6-11)18-15-19-12-13(20-7-1-2-8-20)16-9-17-14(12)24-15/h3-6,9H,1-2,7-8H2,(H,18,19) BGOMRRIRVJFVFH-UHFFFAOYSA-N 50189057 CHEMBL3827990 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189057&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044516 346535009 CHEMBL3827990 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50511923 Fc1cccc(F)c1Nc1nc2c(ncnc2s1)N1CCCC1 InChI=1S/C15H13F2N5S/c16-9-4-3-5-10(17)11(9)20-15-21-12-13(22-6-1-2-7-22)18-8-19-14(12)23-15/h3-5,8H,1-2,6-7H2,(H,20,21) DCQGCLTWVCOPKL-UHFFFAOYSA-N 50189058 CHEMBL3827582 Adenosine receptor A1 Homo sapiens 2310 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189058&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044142 346535010 CHEMBL3827582 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512956 COc1cc(Nc2nc3c(ncnc3s2)N2CCCC2)cc(OC)c1OC InChI=1S/C18H21N5O3S/c1-24-12-8-11(9-13(25-2)15(12)26-3)21-18-22-14-16(23-6-4-5-7-23)19-10-20-17(14)27-18/h8-10H,4-7H2,1-3H3,(H,21,22) NICBIAZGYVMWPV-UHFFFAOYSA-N 50189099 CHEMBL3828479 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189099&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044518 346535028 CHEMBL3828479 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512957 CN(C)c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C13H13N5S/c1-18(2)11-10-12(15-8-14-11)19-13(17-10)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17) FWAWUUVYNDMIAO-UHFFFAOYSA-N 50189100 CHEMBL3088342 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189100&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76335345 346535029 CHEMBL3088342 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512959 OC[C@@H]1CCCN1c1ncnc2sc(Nc3c(F)cccc3F)nc12 InChI=1S/C16H15F2N5OS/c17-10-4-1-5-11(18)12(10)21-16-22-13-14(19-8-20-15(13)25-16)23-6-2-3-9(23)7-24/h1,4-5,8-9,24H,2-3,6-7H2,(H,21,22)/t9-/m0/s1 GNNWCSOWJARYCL-VIFPVBQESA-N 50189059 CHEMBL3828448 Adenosine receptor A1 Homo sapiens 7970 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189059&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127043648 346535011 CHEMBL3828448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512961 Brc1cccc(Nc2nc3c(ncnc3s2)N2CCCC2)c1 InChI=1S/C15H14BrN5S/c16-10-4-3-5-11(8-10)19-15-20-12-13(21-6-1-2-7-21)17-9-18-14(12)22-15/h3-5,8-9H,1-2,6-7H2,(H,19,20) YQTYPSIBGJUFHX-UHFFFAOYSA-N 50189104 CHEMBL3827889 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189104&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127043818 346535033 CHEMBL3827889 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512963 OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12 InChI=1S/C16H16BrN5OS/c17-10-3-1-4-11(7-10)20-16-21-13-14(18-9-19-15(13)24-16)22-6-2-5-12(22)8-23/h1,3-4,7,9,12,23H,2,5-6,8H2,(H,20,21)/t12-/m0/s1 MFGADMHJBQHFPU-LBPRGKRZSA-N 50189097 CHEMBL3827171 Adenosine receptor A1 Homo sapiens 530 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189097&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044517 346535026 CHEMBL3827171 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512967 COc1cc(Nc2nc3c(ncnc3s2)N2CCC[C@H]2CO)cc(OC)c1OC InChI=1S/C19H23N5O4S/c1-26-13-7-11(8-14(27-2)16(13)28-3)22-19-23-15-17(20-10-21-18(15)29-19)24-6-4-5-12(24)9-25/h7-8,10,12,25H,4-6,9H2,1-3H3,(H,22,23)/t12-/m0/s1 FCQRAGAWNCOGCD-LBPRGKRZSA-N 50189091 CHEMBL3827396 Adenosine receptor A1 Homo sapiens 974 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189091&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127043299 346535020 CHEMBL3827396 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512968 CN1CCN(CC1)c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C16H18N6S/c1-21-7-9-22(10-8-21)14-13-15(18-11-17-14)23-16(20-13)19-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20) VSBQTUMBNUNEDL-UHFFFAOYSA-N 50189096 CHEMBL3088343 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189096&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11595040 346535025 CHEMBL3088343 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512971 C1CN(CCN1)c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C15H16N6S/c1-2-4-11(5-3-1)19-15-20-12-13(17-10-18-14(12)22-15)21-8-6-16-7-9-21/h1-5,10,16H,6-9H2,(H,19,20) UIOXTFHJUQBRAP-UHFFFAOYSA-N 50189092 CHEMBL3088344 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189092&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76324522 346535021 CHEMBL3088344 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512980 CCN(CC)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12 InChI=1S/C15H16ClN5S/c1-3-21(4-2)13-12-14(18-9-17-13)22-15(20-12)19-11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H,19,20) LCWHOXGVDBIAJN-UHFFFAOYSA-N 50189063 CHEMBL3088349 Adenosine receptor A1 Homo sapiens 16500 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189063&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76328084 346535015 CHEMBL3088349 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512982 CN(C)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12 InChI=1S/C13H12ClN5S/c1-19(2)11-10-12(16-7-15-11)20-13(18-10)17-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,17,18) DXAMNLXTQXWCLJ-UHFFFAOYSA-N 50189065 CHEMBL3088350 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189065&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76313641 346535017 CHEMBL3088350 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513096 CCN1CCN(CC1)c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C17H20N6S/c1-2-22-8-10-23(11-9-22)15-14-16(19-12-18-15)24-17(21-14)20-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,20,21) VUMXVAVTACGLEO-UHFFFAOYSA-N 50189093 CHEMBL3088345 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189093&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76328083 346535022 CHEMBL3088345 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513099 C1CCN(CC1)C1CCN(CC1)c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C21H26N6S/c1-3-7-16(8-4-1)24-21-25-18-19(22-15-23-20(18)28-21)27-13-9-17(10-14-27)26-11-5-2-6-12-26/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,24,25) UZSKMXVNIIITKA-UHFFFAOYSA-N 50189094 CHEMBL3088346 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189094&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76313640 346535023 CHEMBL3088346 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513105 Clc1ccc(Nc2nc3c(ncnc3s2)N2CCOCC2)cc1 InChI=1S/C15H14ClN5OS/c16-10-1-3-11(4-2-10)19-15-20-12-13(17-9-18-14(12)23-15)21-5-7-22-8-6-21/h1-4,9H,5-8H2,(H,19,20) WYBMDGVKXNQXJD-UHFFFAOYSA-N 50189095 CHEMBL3088347 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189095&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76309925 346535024 CHEMBL3088347 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513108 Clc1ccc(Nc2nc3c(ncnc3s2)N2CCCCC2)cc1 InChI=1S/C16H16ClN5S/c17-11-4-6-12(7-5-11)20-16-21-13-14(18-10-19-15(13)23-16)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9H2,(H,20,21) LRXPBLSCEQOYMN-UHFFFAOYSA-N 50189061 CHEMBL3088348 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189061&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76335346 346535013 CHEMBL3088348 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513184 CN1CCN(CC1)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12 InChI=1S/C16H17ClN6S/c1-22-6-8-23(9-7-22)14-13-15(19-10-18-14)24-16(21-13)20-12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3,(H,20,21) XBNFKAJLSRWMJV-UHFFFAOYSA-N 50189177 CHEMBL3088333 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189177&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76328082 346535036 CHEMBL3088333 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513186 Clc1ncnc2sc(NC(=O)c3ccccc3)nc12 InChI=1S/C12H7ClN4OS/c13-9-8-11(15-6-14-9)19-12(16-8)17-10(18)7-4-2-1-3-5-7/h1-6H,(H,16,17,18) UMGRVNKOCAXERC-UHFFFAOYSA-N 50189102 CHEMBL3088338 Adenosine receptor A1 Homo sapiens 7240 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189102&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 59011969 346535031 CHEMBL3088338 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513219 C1CN(CCO1)c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C15H15N5OS/c1-2-4-11(5-3-1)18-15-19-12-13(16-10-17-14(12)22-15)20-6-8-21-9-7-20/h1-5,10H,6-9H2,(H,18,19) FJTULRDAZPXBDV-UHFFFAOYSA-N 50189103 CHEMBL3088339 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189103&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76313639 346535032 CHEMBL3088339 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50503596 CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C31H36N7O6/c1-30(2)20-10-7-18(13-21(20)31(3,4)38(30)43)28(42)32-12-11-17-5-8-19(9-6-17)36-26-23-27(34-15-33-26)37(16-35-23)29-25(41)24(40)22(14-39)44-29/h5-10,13,15-16,22,24-25,29,39-41H,11-12,14H2,1-4H3,(H,32,42)(H,33,34,36)/t22-,24-,25-,29-/m1/s1 JPHGWCUCQLEZCX-UQCYUJMQSA-N 50292320 CHEMBL400746::N-(4-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-ylamino)phenethyl)-2-hydroxy-1,1,3,3-tetramethylisoindoline-5-carboxamide::N6-[4-[2-[1,1,3,3-tetramethylisoindol-2-yloxyl-5amido]ethyl]phenyl]adenosine::VCP-102 Adenosine receptor A1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292320&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442167 104133871 CHEMBL400746 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50503598 CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C29H40N7O6/c1-28(2)18-10-9-17(13-19(18)29(3,4)36(28)41)26(40)31-12-8-6-5-7-11-30-24-21-25(33-15-32-24)35(16-34-21)27-23(39)22(38)20(14-37)42-27/h9-10,13,15-16,20,22-23,27,37-39H,5-8,11-12,14H2,1-4H3,(H,31,40)(H,30,32,33)/t20-,22-,23-,27-/m1/s1 RGAAOJGPOWXZBC-TXJANDSUSA-N 50292321 CHEMBL249677::N6-[6-[1,1,3,3-tetramethylisoindolin-2-yloxyl-5-amido]hexyl]adenosine Adenosine receptor A1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292321&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442166 104133872 CHEMBL249677 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50503601 CC1(C)CC(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(C)(C)N1[O] InChI=1S/C19H29N6O5/c1-18(2)5-10(19(3,4)25(18)29)6-20-15-12-16(22-8-21-15)24(9-23-12)17-14(28)13(27)11(7-26)30-17/h8-11,13-14,17,26-28H,5-7H2,1-4H3,(H,20,21,22)/t10?,11-,13-,14-,17-/m1/s1 QFFVFNDFHJHEHU-QIFOKDCASA-N 50292322 (2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL399774::N6-(2,2,5,5-tetramethylpyrrolidin-1-yloxyl-3-ylmethyl)adenosine::VCP-28 Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292322&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442164 104133873 CHEMBL399774 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50503604 CC1(C)N([O])C(C)(C)c2cc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 InChI=1S/C22H27N6O5/c1-21(2)12-6-5-11(7-13(12)22(3,4)28(21)32)26-18-15-19(24-9-23-18)27(10-25-15)20-17(31)16(30)14(8-29)33-20/h5-7,9-10,14,16-17,20,29-31H,8H2,1-4H3,(H,23,24,26)/t14-,16-,17-,20-/m1/s1 DLRWUHPKQAKXHC-WVSUBDOOSA-N 50292323 CHEMBL400567::N6-(1,1,3,3-tetramethylisoindolin-2-yloxyl-5-yl) adenosine Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292323&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442162 104133874 CHEMBL400567 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50503609 CC1(C)CC(CC(C)(C)N1[O])Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H29N6O5/c1-18(2)5-10(6-19(3,4)25(18)29)23-15-12-16(21-8-20-15)24(9-22-12)17-14(28)13(27)11(7-26)30-17/h8-11,13-14,17,26-28H,5-7H2,1-4H3,(H,20,21,23)/t11-,13-,14-,17-/m1/s1 ZTWZYJHYVXEYCT-LSCFUAHRSA-N 50292319 CHEMBL250316::N6-(2,2,6,6-tetramethylpiperidin-1-yloxyl-4-yl) adenosine Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292319&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442163 104133870 CHEMBL250316 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512171 Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1 InChI=1S/C11H5ClF2N4S/c12-9-8-10(16-4-15-9)19-11(18-8)17-7-5(13)2-1-3-6(7)14/h1-4H,(H,17,18) ZUGXGYFPBNSZEH-UHFFFAOYSA-N 50189062 CHEMBL3828648 Adenosine receptor A1 Homo sapiens 17800 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189062&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045164 346535014 CHEMBL3828648 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512172 Clc1ncnc2sc(Nc3cccc(Br)c3)nc12 InChI=1S/C11H6BrClN4S/c12-6-2-1-3-7(4-6)16-11-17-8-9(13)14-5-15-10(8)18-11/h1-5H,(H,16,17) ZHQDCGTZBYXLJT-UHFFFAOYSA-N 50189064 CHEMBL3828047 Adenosine receptor A1 Homo sapiens 12600 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189064&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127044785 346535016 CHEMBL3828047 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512202 COc1cc(Nc2nc3c(Cl)ncnc3s2)cc(OC)c1OC InChI=1S/C14H13ClN4O3S/c1-20-8-4-7(5-9(21-2)11(8)22-3)18-14-19-10-12(15)16-6-17-13(10)23-14/h4-6H,1-3H3,(H,18,19) NIQZYMYTVFSKRC-UHFFFAOYSA-N 50189066 CHEMBL3827097 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189066&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045165 346535018 CHEMBL3827097 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512203 Cc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1 InChI=1S/C12H9ClN4S/c1-7-2-4-8(5-3-7)16-12-17-9-10(13)14-6-15-11(9)18-12/h2-6H,1H3,(H,16,17) XJXOZVKBZZJUHT-UHFFFAOYSA-N 50189090 CHEMBL3827748 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189090&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11608818 346535019 CHEMBL3827748 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512204 [O-][N+](=O)c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1 InChI=1S/C11H6ClN5O2S/c12-9-8-10(14-5-13-9)20-11(16-8)15-6-1-3-7(4-2-6)17(18)19/h1-5H,(H,15,16) AGBFROYZKVNMRB-UHFFFAOYSA-N 50189060 CHEMBL3828031 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189060&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11630922 346535012 CHEMBL3828031 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512206 Clc1ncnc2sc(nc12)N(Cc1ccccc1)C(=S)NCc1ccccc1 InChI=1S/C20H16ClN5S2/c21-17-16-18(24-13-23-17)28-20(25-16)26(12-15-9-5-2-6-10-15)19(27)22-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,22,27) GMRJTVNCPZHTOX-UHFFFAOYSA-N 50189175 CHEMBL3828590 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189175&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11539152 346535034 CHEMBL3828590 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512208 Clc1ncnc2sc(NCCN3CCOCC3)nc12 InChI=1S/C11H14ClN5OS/c12-9-8-10(15-7-14-9)19-11(16-8)13-1-2-17-3-5-18-6-4-17/h7H,1-6H2,(H,13,16) PLUPQORAZWHBMV-UHFFFAOYSA-N 50189176 CHEMBL3828675 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189176&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045166 346535035 CHEMBL3828675 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513236 C1CCN(CC1)c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C16H17N5S/c1-3-7-12(8-4-1)19-16-20-13-14(17-11-18-15(13)22-16)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,19,20) JXYSIRCOMXVPIJ-UHFFFAOYSA-N 50189119 CHEMBL3088340 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189119&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76331754 104072812 CHEMBL3088340 ZINC34800109 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513243 CCN(CC)c1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C15H17N5S/c1-3-20(4-2)13-12-14(17-10-16-13)21-15(19-12)18-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,18,19) FDONJOSUHNVAFF-UHFFFAOYSA-N 50189098 CHEMBL3088341 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189098&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76331755 346535027 CHEMBL3088341 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513282 Clc1ncnc2sc(Nc3ccccc3)nc12 InChI=1S/C11H7ClN4S/c12-9-8-10(14-6-13-9)17-11(16-8)15-7-4-2-1-3-5-7/h1-6H,(H,15,16) NYPFZLVPIOCYGQ-UHFFFAOYSA-N 50189178 CHEMBL3088335 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189178&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11492651 346535037 CHEMBL3088335 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513283 COc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1 InChI=1S/C12H9ClN4OS/c1-18-8-4-2-7(3-5-8)16-12-17-9-10(13)14-6-15-11(9)19-12/h2-6H,1H3,(H,16,17) KGFDYSUSOUEZEF-UHFFFAOYSA-N 50189179 CHEMBL3088336 Adenosine receptor A1 Homo sapiens 11500 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189179&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11522152 346535038 CHEMBL3088336 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50513284 Clc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1 InChI=1S/C11H6Cl2N4S/c12-6-1-3-7(4-2-6)16-11-17-8-9(13)14-5-15-10(8)18-11/h1-5H,(H,16,17) HQIACZUVSXRGGU-UHFFFAOYSA-N 50189101 CHEMBL3088337 Adenosine receptor A1 Homo sapiens 25000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189101&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 76335344 346535030 CHEMBL3088337 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50510269 CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1 InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3 ABDRPDMPTGJLDQ-UHFFFAOYSA-N 50187586 CHEMBL3827623 Adenosine receptor A1 Homo sapiens 1990 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187586&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045631 346534835 CHEMBL3827623 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50510270 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(C)C)cc1 InChI=1S/C26H38N6O3/c1-5-7-14-31-23-22(24(33)32(26(31)34)15-8-6-2)30-17-9-16-29(25(30)27-23)20-10-12-21(13-11-20)35-19-18-28(3)4/h10-13H,5-9,14-19H2,1-4H3 KKTVRWXNIYLETN-UHFFFAOYSA-N 50187587 CHEMBL3827598 Adenosine receptor A1 Homo sapiens 539 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187587&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045167 346534836 CHEMBL3827598 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50510271 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3 JSUVPCPAVPGBBK-UHFFFAOYSA-N 50187584 CHEMBL3827187 Adenosine receptor A1 Homo sapiens 1190 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187584&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045168 346534833 CHEMBL3827187 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50510272 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1 InChI=1S/C28H40N6O3/c1-3-5-16-33-25-24(26(35)34(28(33)36)17-6-4-2)32-19-9-18-31(27(32)29-25)22-10-12-23(13-11-22)37-21-20-30-14-7-8-15-30/h10-13H,3-9,14-21H2,1-2H3 ZYNZMEVLODMRNO-UHFFFAOYSA-N 50187585 CHEMBL3827074 Adenosine receptor A1 Homo sapiens 658 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187585&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045169 346534834 CHEMBL3827074 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50510273 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1 InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3 DJMAOAZZXABOFN-UHFFFAOYSA-N 50187588 CHEMBL3827201 Adenosine receptor A1 Homo sapiens 713 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187588&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127045170 346534837 CHEMBL3827201 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50510274 CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1 InChI=1S/C24H34N6O3/c1-5-28(6-2)16-17-33-19-10-8-18(9-11-19)12-15-29-13-7-14-30-20-21(25-23(29)30)26(3)24(32)27(4)22(20)31/h8-11H,5-7,12-17H2,1-4H3 LKZCACKRMPMZHI-UHFFFAOYSA-N 50187589 CHEMBL3827859 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187589&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46893147 346534838 CHEMBL3827859 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50510275 CCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC)c1=O InChI=1S/C20H25N5O3/c1-3-23-17-16(18(27)24(4-2)20(23)28)25-12-5-11-22(19(25)21-17)13-10-14-6-8-15(26)9-7-14/h6-9,26H,3-5,10-13H2,1-2H3 ZHLYQXBGJXSGGA-UHFFFAOYSA-N 50187590 CHEMBL3827583 Adenosine receptor A1 Homo sapiens 2020 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187590&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127043662 346534839 CHEMBL3827583 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50510276 CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O InChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3 PCGDFXCJWKWRNP-UHFFFAOYSA-N 50187591 CHEMBL3827331 Adenosine receptor A1 Homo sapiens 1550 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187591&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127043828 346534840 CHEMBL3827331 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509207 Nc1nc(NC(=O)c2ccccc2)c(c(n1)-c1ccco1)[N+]([O-])=O InChI=1S/C15H11N5O4/c16-15-17-11(10-7-4-8-24-10)12(20(22)23)13(19-15)18-14(21)9-5-2-1-3-6-9/h1-8H,(H3,16,17,18,19,21) IQQSYONWTRBBJS-UHFFFAOYSA-N 50294512 CHEMBL557624::N-(2-Amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-benzamide Adenosine receptor A1 Homo sapiens 2062 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294512&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45271359 104136043 CHEMBL557624 ZINC42989213 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509208 Nc1nc(NC(=O)c2ccncc2)c(c(n1)-c1ccco1)[N+]([O-])=O InChI=1S/C14H10N6O4/c15-14-17-10(9-2-1-7-24-9)11(20(22)23)12(19-14)18-13(21)8-3-5-16-6-4-8/h1-7H,(H3,15,17,18,19,21) YZIOCHRRGPPQFP-UHFFFAOYSA-N 50294513 CHEMBL540156::N-(2-Amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-isonicotinamide Adenosine receptor A1 Homo sapiens 2004 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294513&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45267119 104136044 CHEMBL540156 ZINC42988870 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509209 Nc1nc(NC(=O)c2ccccc2F)c(c(n1)-c1ccco1)[N+]([O-])=O InChI=1S/C15H10FN5O4/c16-9-5-2-1-4-8(9)14(22)19-13-12(21(23)24)11(18-15(17)20-13)10-6-3-7-25-10/h1-7H,(H3,17,18,19,20,22) NMWQGSJOLWAPEH-UHFFFAOYSA-N 50294514 CHEMBL562421::N-(2-Amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-2-fluorobenzamide Adenosine receptor A1 Homo sapiens 311 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294514&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45269703 104136045 CHEMBL562421 ZINC43120105 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509210 COc1ccccc1C(=O)Nc1nc(N)nc(-c2ccco2)c1[N+]([O-])=O InChI=1S/C16H13N5O5/c1-25-10-6-3-2-5-9(10)15(22)19-14-13(21(23)24)12(18-16(17)20-14)11-7-4-8-26-11/h2-8H,1H3,(H3,17,18,19,20,22) WJAZVKMCXZWOKB-UHFFFAOYSA-N 50294515 CHEMBL563034::N-(2-Amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-2-methoxybenzamide Adenosine receptor A1 Homo sapiens 770 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294515&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45270537 104136046 CHEMBL563034 ZINC43012750 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509211 Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c(c(n1)-c1ccco1)[N+]([O-])=O InChI=1S/C16H10F3N5O5/c17-16(18,19)29-9-5-2-1-4-8(9)14(25)22-13-12(24(26)27)11(21-15(20)23-13)10-6-3-7-28-10/h1-7H,(H3,20,21,22,23,25) YJSHFVYHZMYBJH-UHFFFAOYSA-N 50294516 CHEMBL561163::N-(2-Amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-3-trifluoromethoxybenzamide Adenosine receptor A1 Homo sapiens 298 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294516&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45268863 104136047 CHEMBL561163 ZINC43123411 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509212 Nc1nc(NC(=O)c2cccnc2)c(c(n1)-c1ccco1)[N+]([O-])=O InChI=1S/C14H10N6O4/c15-14-17-10(9-4-2-6-24-9)11(20(22)23)12(19-14)18-13(21)8-3-1-5-16-7-8/h1-7H,(H3,15,17,18,19,21) KRFMWHLMAJRMIN-UHFFFAOYSA-N 50294517 CHEMBL551177::N-(2-Amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-nicotinamide Adenosine receptor A1 Homo sapiens 3540 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294517&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45272255 104136048 CHEMBL551177 ZINC43013455 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509213 COc1ccccc1CC(=O)Nc1nc(N)nc(-c2ccco2)c1[N+]([O-])=O InChI=1S/C17H15N5O5/c1-26-11-6-3-2-5-10(11)9-13(23)19-16-15(22(24)25)14(20-17(18)21-16)12-7-4-8-27-12/h2-8H,9H2,1H3,(H3,18,19,20,21,23) IJFHXPZGVLQVJF-UHFFFAOYSA-N 50294518 CHEMBL564224::N-(2-Amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-2-phenylacetamide Adenosine receptor A1 Homo sapiens 884 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294518&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45272256 104136049 CHEMBL564224 ZINC43063772 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509214 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1 InChI=1S/C16H14N4O2/c17-16-19-12(14-7-4-8-22-14)9-13(20-16)15(21)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H2,17,19,20) REBBIMYHUBYOBS-UHFFFAOYSA-N 50294502 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide::CHEMBL538629 Adenosine receptor A1 Homo sapiens 58 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294502&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45267987 104136033 CHEMBL538629 ZINC42963674 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509215 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1F InChI=1S/C16H13FN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21) ZDZMRYFYFIQSFZ-UHFFFAOYSA-N 50294503 2-amino-N-(2-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide::CHEMBL557084 Adenosine receptor A1 Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294503&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11483771 104136034 CHEMBL557084 ZINC13983335 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509216 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(F)c1 InChI=1S/C16H13FN4O2/c17-11-4-1-3-10(7-11)9-19-15(22)13-8-12(20-16(18)21-13)14-5-2-6-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21) WPZSHLBDZYXRMN-UHFFFAOYSA-N 50294504 2-amino-N-(3-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide::CHEMBL550636 Adenosine receptor A1 Homo sapiens 39 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294504&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45270541 104136035 CHEMBL550636 ZINC43019740 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509217 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(F)cc1 InChI=1S/C16H13FN4O2/c17-11-5-3-10(4-6-11)9-19-15(22)13-8-12(20-16(18)21-13)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21) DHGGCNFXSNHTEV-UHFFFAOYSA-N 50294519 2-amino-N-(4-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide::CHEMBL561244 Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294519&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45267125 104136050 CHEMBL561244 ZINC43121231 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509218 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl InChI=1S/C16H13ClN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21) ZVWNHOGZGKJOCZ-UHFFFAOYSA-N 50294505 2-amino-N-(2-chlorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide::CHEMBL560904 Adenosine receptor A1 Homo sapiens 72 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294505&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45267990 104136036 CHEMBL560904 ZINC43070119 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509219 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(Cl)c1 InChI=1S/C16H13ClN4O2/c17-11-4-1-3-10(7-11)9-19-15(22)13-8-12(20-16(18)21-13)14-5-2-6-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21) LPLCYUODHCAGPW-UHFFFAOYSA-N 50294506 2-amino-N-(3-chlorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide::CHEMBL554623 Adenosine receptor A1 Homo sapiens 12.2 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294506&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45268869 104136037 CHEMBL554623 ZINC42967271 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509220 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C16H13ClN4O2/c17-11-5-3-10(4-6-11)9-19-15(22)13-8-12(20-16(18)21-13)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21) BAMQMWONHGJLCT-UHFFFAOYSA-N 50294520 2-amino-N-(4-chlorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide::CHEMBL552511 Adenosine receptor A1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294520&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45271366 104136051 CHEMBL552511 ZINC42921627 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509221 Cc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 InChI=1S/C17H16N4O2/c1-11-5-2-3-6-12(11)10-19-16(22)14-9-13(20-17(18)21-14)15-7-4-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21) LDJWWIWFNZKBTC-UHFFFAOYSA-N 50294507 2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidine-4-carboxamide::CHEMBL551368 Adenosine receptor A1 Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294507&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11392671 104136038 CHEMBL551368 ZINC42920638 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509222 Cc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1 InChI=1S/C17H16N4O2/c1-11-4-2-5-12(8-11)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21) XCILVOURWDGPPK-UHFFFAOYSA-N 50294508 2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidine-4-carboxamide::CHEMBL553449 Adenosine receptor A1 Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294508&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11162618 104136039 CHEMBL553449 ZINC38316785 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509223 Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 InChI=1S/C17H16N4O2/c1-11-4-6-12(7-5-11)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21) QTEJHXLDDDJLAG-UHFFFAOYSA-N 50294509 2-amino-6-(furan-2-yl)-N-(4-methylbenzyl)pyrimidine-4-carboxamide::CHEMBL557696 Adenosine receptor A1 Homo sapiens 102 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294509&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45273122 104136040 CHEMBL557696 ZINC43024295 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509224 COc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 InChI=1S/C17H16N4O3/c1-23-14-6-3-2-5-11(14)10-19-16(22)13-9-12(20-17(18)21-13)15-7-4-8-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21) DFRSOCIMNLONDQ-UHFFFAOYSA-N 50294510 2-amino-6-(furan-2-yl)-N-(2-methoxybenzyl)pyrimidine-4-carboxamide::CHEMBL556083 Adenosine receptor A1 Homo sapiens 34.5 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294510&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11393155 104136041 CHEMBL556083 ZINC34532251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509225 COc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1 InChI=1S/C17H16N4O3/c1-23-12-5-2-4-11(8-12)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21) YFRHZCQZSUBSEY-UHFFFAOYSA-N 50294511 2-amino-6-(furan-2-yl)-N-(3-methoxybenzyl)pyrimidine-4-carboxamide::CHEMBL549477 Adenosine receptor A1 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294511&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11381738 104136042 CHEMBL549477 ZINC43010447 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509226 COc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 InChI=1S/C17H16N4O3/c1-23-12-6-4-11(5-7-12)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21) CDDXHEXCVIPIRC-UHFFFAOYSA-N 50294521 2-amino-6-(furan-2-yl)-N-(4-methoxybenzyl)pyrimidine-4-carboxamide::CHEMBL561645 Adenosine receptor A1 Homo sapiens 157 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294521&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45267130 104136052 CHEMBL561645 ZINC43069289 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509227 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1 InChI=1S/C15H13N5O2/c16-15-19-11(13-5-3-7-22-13)8-12(20-15)14(21)18-9-10-4-1-2-6-17-10/h1-8H,9H2,(H,18,21)(H2,16,19,20) BENBHTCDSUCPSQ-UHFFFAOYSA-N 35785 pyrimidine-4-carboxamide, 25 Adenosine receptor A1 Homo sapiens 122 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35785&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11426423 85856578 ZINC43016852 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509228 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccnc1 InChI=1S/C15H13N5O2/c16-15-19-11(13-4-2-6-22-13)7-12(20-15)14(21)18-9-10-3-1-5-17-8-10/h1-8H,9H2,(H,18,21)(H2,16,19,20) IYBSZQMNYVYEJE-UHFFFAOYSA-N 50294499 2-amino-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide::CHEMBL571672 Adenosine receptor A1 Homo sapiens 124 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294499&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11380878 104136030 CHEMBL571672 ZINC43059240 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509229 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccncc1 InChI=1S/C15H13N5O2/c16-15-19-11(13-2-1-7-22-13)8-12(20-15)14(21)18-9-10-3-5-17-6-4-10/h1-8H,9H2,(H,18,21)(H2,16,19,20) OVPOEJWCXDGJTP-UHFFFAOYSA-N 50294522 2-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide::CHEMBL564142 Adenosine receptor A1 Homo sapiens 1342 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294522&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11312454 104136053 CHEMBL564142 ZINC43071680 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509230 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccco1 InChI=1S/C14H12N4O3/c15-14-17-10(12-4-2-6-21-12)7-11(18-14)13(19)16-8-9-3-1-5-20-9/h1-7H,8H2,(H,16,19)(H2,15,17,18) HZOFOCBNKICMLZ-UHFFFAOYSA-N 50294523 2-amino-6-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide::CHEMBL558291 Adenosine receptor A1 Homo sapiens 214 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294523&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11391964 104136054 CHEMBL558291 ZINC42920311 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509231 Nc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 InChI=1S/C15H14N6O2/c16-13-5-1-3-9(19-13)8-18-14(22)11-7-10(20-15(17)21-11)12-4-2-6-23-12/h1-7H,8H2,(H2,16,19)(H,18,22)(H2,17,20,21) MPXGXZJPDNLULM-UHFFFAOYSA-N 50294500 2-amino-N-((6-aminopyridin-2-yl)methyl)-6-(furan-2-yl)pyrimidine-4-carboxamide::CHEMBL551373 Adenosine receptor A1 Homo sapiens 131 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294500&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11289861 104136031 CHEMBL551373 ZINC42921270 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50509232 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(CO)n1 InChI=1S/C16H15N5O3/c17-16-20-12(14-5-2-6-24-14)7-13(21-16)15(23)18-8-10-3-1-4-11(9-22)19-10/h1-7,22H,8-9H2,(H,18,23)(H2,17,20,21) ZTIHSTWZEUPKPF-UHFFFAOYSA-N 50294524 2-amino-6-(furan-2-yl)-N-((6-(hydroxymethyl)pyridin-2-yl)methyl)pyrimidine-4-carboxamide::CHEMBL538949 Adenosine receptor A1 Homo sapiens 260 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294524&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11472819 104136055 CHEMBL538949 ZINC42965012 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512536 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) FIQGIOAELHTLHM-UHFFFAOYSA-N 50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC Adenosine receptor A1 Homo sapiens 9 ChEMBL 10.1016/j.bmc.2009.05.036 10.7270/Q2JD4WV6 19481943 Ishiyama, H; Nakajima, H; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207816&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search XAC 3REY 5697 104085140 CHEMBL273094 404 ZINC28763883 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512537 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine Adenosine receptor A1 Homo sapiens 49000 ChEMBL 10.1016/j.bmc.2009.05.036 10.7270/Q2JD4WV6 19481943 Ishiyama, H; Nakajima, H; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10849&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search CFF 6JRS,1GFZ,3DDW,3DDS,3DD1,6TV4,6JIU,6JIY,6JII,6JI0,7M6L,7M6A,1C8L,6JHN,4Y4D,7D7K,7D7L,1L7X,6M2W,7PBB,1L5Q,6QTL,5T9V,6SF9,6ICN,6ICP,5TAL,5TAT,5TAU,5TAP,3RFM,3G6M,6JRR,5TAM,5TAN,5TAV,5TAQ,2A3B,7TZC,5MZP,6UG4,5TAS,5TA3 2519 46511425 27732 CHEMBL113 DB00201 407 C07481 ZINC00001084 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512538 CCCOc1cnc2c(c1)[nH]c1c2n(CCC)c(=O)n(CCC)c1=O InChI=1S/C18H24N4O3/c1-4-7-21-16-14-13(10-12(11-19-14)25-9-6-3)20-15(16)17(23)22(8-5-2)18(21)24/h10-11,20H,4-9H2,1-3H3 FROWSYLVSFMXMF-UHFFFAOYSA-N 50295947 2,4-Bis-n-propyl-4,9-dihydro-7-n-propyloxy-2,4,5,-9-tetraaza-fluorene-1,3-dione::CHEMBL555047 Adenosine receptor A1 Homo sapiens 921 ChEMBL 10.1016/j.bmc.2009.05.036 10.7270/Q2JD4WV6 19481943 Ishiyama, H; Nakajima, H; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295947&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45268313 104137478 CHEMBL555047 ZINC42967065 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512539 CCCOc1cncc2[nH]c3c(n(CCC)c(=O)n(CCC)c3=O)c12 InChI=1S/C18H24N4O3/c1-4-7-21-16-14-12(10-19-11-13(14)25-9-6-3)20-15(16)17(23)22(8-5-2)18(21)24/h10-11,20H,4-9H2,1-3H3 LMDJIXVWEXHGAT-UHFFFAOYSA-N 50295948 2,4-Bis-n-propyl-4,9-dihydro-5-n-propyloxy-2,4,7,9-tetraaza-fluorene-1,3-dione::CHEMBL559990 Adenosine receptor A1 Homo sapiens 346 ChEMBL 10.1016/j.bmc.2009.05.036 10.7270/Q2JD4WV6 19481943 Ishiyama, H; Nakajima, H; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295948&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44241696 104137479 CHEMBL559990 ZINC43077322 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512540 CCCn1c2c3ncccc3[nH]c2c(=O)n(CCC)c1=O InChI=1S/C15H18N4O2/c1-3-8-18-13-11-10(6-5-7-16-11)17-12(13)14(20)19(9-4-2)15(18)21/h5-7,17H,3-4,8-9H2,1-2H3 RAUCYLZBLWPEFM-UHFFFAOYSA-N 50295949 2,4-bis-n-propyl-4,9-dihydro-2,4,7,-9-tetraaza-fluorene-1,3-dione::CHEMBL550313 Adenosine receptor A1 Homo sapiens 132 ChEMBL 10.1016/j.bmc.2009.05.036 10.7270/Q2JD4WV6 19481943 Ishiyama, H; Nakajima, H; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295949&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45271709 104137480 CHEMBL550313 ZINC43019360 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512541 CCCn1c2c3ccncc3[nH]c2c(=O)n(CCC)c1=O InChI=1S/C15H18N4O2/c1-3-7-18-13-10-5-6-16-9-11(10)17-12(13)14(20)19(8-4-2)15(18)21/h5-6,9,17H,3-4,7-8H2,1-2H3 JVKLADVBMSHKIA-UHFFFAOYSA-N 50295951 2,4-Bis-n-propyl-4,9-dihydro-2,4,5,9-tetraaza-fluorene-1,3-dione::CHEMBL554967 Adenosine receptor A1 Homo sapiens 1410 ChEMBL 10.1016/j.bmc.2009.05.036 10.7270/Q2JD4WV6 19481943 Ishiyama, H; Nakajima, H; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295951&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45267454 104137482 CHEMBL554967 ZINC42924130 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512542 Cn1c2c3ncccc3[nH]c2c(=O)n(C)c1=O InChI=1S/C11H10N4O2/c1-14-9-7-6(4-3-5-12-7)13-8(9)10(16)15(2)11(14)17/h3-5,13H,1-2H3 DTSCLFDGIVWOGR-UHFFFAOYSA-N 50295950 2,4-Dimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluorene-1,3-dione::CHEMBL541185 Adenosine receptor A1 Homo sapiens 379 ChEMBL 10.1016/j.bmc.2009.05.036 10.7270/Q2JD4WV6 19481943 Ishiyama, H; Nakajima, H; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295950&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16739249 104137481 CHEMBL541185 ZINC42920559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50512543 Cn1c2c3ccncc3[nH]c2c(=O)n(C)c1=O InChI=1S/C11H10N4O2/c1-14-9-6-3-4-12-5-7(6)13-8(9)10(16)15(2)11(14)17/h3-5,13H,1-2H3 RMTZWBNOVKUCRQ-UHFFFAOYSA-N 50295952 2,4-Dimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene-1,3-dione::CHEMBL569844 Adenosine receptor A1 Homo sapiens 11700 ChEMBL 10.1016/j.bmc.2009.05.036 10.7270/Q2JD4WV6 19481943 Ishiyama, H; Nakajima, H; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295952&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24998410 104137483 CHEMBL569844 ZINC43066375 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534877 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)OC InChI=1S/C27H29ClN6O5/c1-29-26(38)27-12-17(27)21(22(36)23(27)37)34-14-31-20-24(30-13-15-7-6-8-16(28)11-15)32-18(33-25(20)34)9-4-3-5-10-19(35)39-2/h6-8,11,14,17,21-23,36-37H,3,5,10,12-13H2,1-2H3,(H,29,38)(H,30,32,33)/t17-,21-,22+,23+,27-/m1/s1 SIECIRCONJTJAI-DXTWCIHJSA-N 50300270 CHEMBL565678::methyl 6-(6-(3-chlorobenzylamino)-9-((1S,2R,3S,4R,5R)-3,4-dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]hexan-2-yl)-9H-purin-2-yl)hex-5-ynoate Adenosine receptor A1 Homo sapiens 482 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300270&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45483958 104154631 CHEMBL565678 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534897 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C16H20ClN5O2/c17-16-20-14(19-7-3-1-2-4-7)10-15(21-16)22(6-18-10)11-8-5-9(8)12(23)13(11)24/h6-9,11-13,23-24H,1-5H2,(H,19,20,21)/t8-,9+,11+,12+,13-/m0/s1 XORVGALEABYZRT-AMGFRPDHSA-N 50300272 (1R,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL576395 Adenosine receptor A1 Homo sapiens 109 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300272&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44597871 104154633 CHEMBL576395 ZINC45300859 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534900 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCN InChI=1S/C27H31ClN8O4/c1-30-26(40)27-12-17(27)21(22(38)23(27)39)36-14-33-20-24(32-13-15-5-4-6-16(28)11-15)34-18(35-25(20)36)7-2-3-8-19(37)31-10-9-29/h4-6,11,14,17,21-23,38-39H,3,8-10,12-13,29H2,1H3,(H,30,40)(H,31,37)(H,32,34,35)/t17-,21-,22+,23+,27-/m1/s1 HCVSTBTWZKEPQM-DXTWCIHJSA-N 50300287 (1'S,2'R,3'S,4'S,5'S)-4'-[6-(3-Chlorobenzylamino)-2-(4-(beta-aminoethylaminocarbonyl)-1-butynyl)-9-yl]-2',3'-dihydroxybicyclo[3.1.0]hexane-1'-carboxylic AcidN-Methylamide::CHEMBL582921 Adenosine receptor A1 Homo sapiens 2320 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300287&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45483960 104154648 CHEMBL582921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534903 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(F)nc12 InChI=1S/C18H17FIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 MHFWPUAKMSPBGS-JHOKLZQASA-N 50300273 (1R,2R,3S,4R,5S)-4-(2-fluoro-6-(3-iodobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL568307 Adenosine receptor A1 Homo sapiens 513 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300273&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44597870 104154634 CHEMBL568307 ZINC45260372 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534904 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H18IN5O2/c19-10-3-1-2-9(4-10)6-20-17-13-18(22-7-21-17)24(8-23-13)14-11-5-12(11)15(25)16(14)26/h1-4,7-8,11-12,14-16,25-26H,5-6H2,(H,20,21,22)/t11-,12+,14+,15+,16-/m0/s1 FKPGTHMEASTRAW-USNPWTNRSA-N 50300274 (1R,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL567412 Adenosine receptor A1 Homo sapiens 839 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300274&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44597869 104154635 CHEMBL567412 ZINC45253852 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534905 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 InChI=1S/C18H18ClN5O2/c19-10-3-1-2-9(4-10)6-20-17-13-18(22-7-21-17)24(8-23-13)14-11-5-12(11)15(25)16(14)26/h1-4,7-8,11-12,14-16,25-26H,5-6H2,(H,20,21,22)/t11-,12+,14+,15+,16-/m0/s1 LMYUTZPVPBXDQP-USNPWTNRSA-N 50300275 (1R,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL583862 Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300275&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44597868 104154636 CHEMBL583862 ZINC45317997 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534917 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)NCCN InChI=1S/C28H33ClN8O4/c1-31-27(41)28-13-18(28)22(23(39)24(28)40)37-15-34-21-25(33-14-16-6-5-7-17(29)12-16)35-19(36-26(21)37)8-3-2-4-9-20(38)32-11-10-30/h5-7,12,15,18,22-24,39-40H,2,4,9-11,13-14,30H2,1H3,(H,31,41)(H,32,38)(H,33,35,36)/t18-,22-,23+,24+,28-/m1/s1 YREVRKNBIMSBSA-HRKXUHDCSA-N 50300285 (1R,2R,3S,4R,5S)-4-(2-(6-(2-aminoethylamino)-6-oxohex-1-ynyl)-6-(3-chlorobenzylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::CHEMBL583132 Adenosine receptor A1 Homo sapiens 454 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300285&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45483961 104154646 CHEMBL583132 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534919 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C18H17Cl2N5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 JDKVLAUQQJFNTK-JHOKLZQASA-N 50264214 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-chlorobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL523797 Adenosine receptor A1 Homo sapiens 3070 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264214&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579715 104112292 CHEMBL523797 ZINC40422996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534920 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 GSPXPSPDVBRJRV-JHOKLZQASA-N 50264213 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL490605 Adenosine receptor A1 Homo sapiens 3040 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264213&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579714 104112291 CHEMBL490605 ZINC45506184 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534921 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 InChI=1S/C18H17BrClN5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 JUPXOEIJARYGJE-JHOKLZQASA-N 50264215 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-Bromobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chloro-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL490606 Adenosine receptor A1 Homo sapiens 1760 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264215&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44579716 104112293 CHEMBL490606 ZINC45506325 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534932 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20-/m1/s1 GAYWHRPOIWFKIF-KZOVSVDNSA-N 50300289 (1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-chlorobenzylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::CHEMBL567226 Adenosine receptor A1 Homo sapiens 260 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300289&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45483955 104154650 CHEMBL567226 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534933 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C18H23ClN6O3/c1-20-16(28)18-6-9(18)11(12(26)13(18)27)25-7-21-10-14(22-8-4-2-3-5-8)23-17(19)24-15(10)25/h7-9,11-13,26-27H,2-6H2,1H3,(H,20,28)(H,22,23,24)/t9-,11-,12+,13+,18-/m1/s1 ZXPDGTGMZKIESV-LUZJUFSVSA-N 50179180 (1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::CHEMBL331291 Adenosine receptor A1 Homo sapiens 18.3 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50179180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50179180&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482610 104064408 CHEMBL331291 ZINC13677748 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50534934 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C20H21IN6O3/c1-22-19(30)20-6-12(20)14(15(28)16(20)29)27-9-26-13-17(24-8-25-18(13)27)23-7-10-3-2-4-11(21)5-10/h2-5,8-9,12,14-16,28-29H,6-7H2,1H3,(H,22,30)(H,23,24,25)/t12-,14-,15+,16+,20-/m1/s1 USWIYPRHODPZSP-SFUGEZHDSA-N 50300290 (1R,2R,3S,4R,5S)-2,3-dihydroxy-4-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methylbicyclo[3.1.0]hexane-1-carboxamide::CHEMBL583637 Adenosine receptor A1 Homo sapiens 700 ChEMBL 10.1021/jm900426g 10.7270/Q2ZC82WM 19499950 Tosh, DK; Chinn, M; Ivanov, AA; Klutz, AM; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300290&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45483954 104154651 CHEMBL583637 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545220 CN1CCc2c(C1)sc(N)c2C(=O)NCc1cccc(Cl)c1 InChI=1S/C16H18ClN3OS/c1-20-6-5-12-13(9-20)22-15(18)14(12)16(21)19-8-10-3-2-4-11(17)7-10/h2-4,7H,5-6,8-9,18H2,1H3,(H,19,21) PUVIVHFWPMIKPD-UHFFFAOYSA-N 50304462 2-Amino-N-(3-chlorobenzyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride::CHEMBL594809 Adenosine receptor A1 Homo sapiens 13200 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304462&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227337 104158823 CHEMBL594809 ZINC45351786 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545221 CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)OC(C)(C)C InChI=1S/C15H22N2O4S/c1-5-20-13(18)11-9-6-7-17(8-10(9)22-12(11)16)14(19)21-15(2,3)4/h5-8,16H2,1-4H3 XSXVOVXVHBSSSN-UHFFFAOYSA-N 50304463 6-tert-Butyl 3-ethyl 2-amino-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate::CHEMBL594119 Adenosine receptor A1 Homo sapiens 13200 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304463&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 2794740 104158824 CHEMBL594119 ZINC04287569 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545222 Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)NCc1ccccc1 InChI=1S/C22H23N3OS/c23-21-20(22(26)24-13-16-7-3-1-4-8-16)18-11-12-25(15-19(18)27-21)14-17-9-5-2-6-10-17/h1-10H,11-15,23H2,(H,24,26) WQOFRFLEWNTFRO-UHFFFAOYSA-N 50304464 2-Amino-N,6-dibenzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride::CHEMBL593637 Adenosine receptor A1 Homo sapiens 13100 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304464&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227384 104158825 CHEMBL593637 ZINC49757552 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545223 CC(C)(C)OC(=O)N1CCc2c(C1)sc(N)c2C(O)=O InChI=1S/C13H18N2O4S/c1-13(2,3)19-12(18)15-5-4-7-8(6-15)20-10(14)9(7)11(16)17/h4-6,14H2,1-3H3,(H,16,17) YNNBGBZGUCLCAC-UHFFFAOYSA-N 50304465 2-Amino-6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid::CHEMBL594321 Adenosine receptor A1 Homo sapiens 12100 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304465&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227379 104158826 CHEMBL594321 ZINC45347913 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545224 CN1CCc2c(C1)sc(N)c2C(=O)NCc1ccccc1 InChI=1S/C16H19N3OS/c1-19-8-7-12-13(10-19)21-15(17)14(12)16(20)18-9-11-5-3-2-4-6-11/h2-6H,7-10,17H2,1H3,(H,18,20) CLFBYEKQCYKVCO-UHFFFAOYSA-N 50304466 2-Amino-N-benzyl-6-methyl-4,5,6,7-tetrahydrothieno-[2,3-c]pyridine-3-carboxamide hydrochloride::CHEMBL594547 Adenosine receptor A1 Homo sapiens 12000 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 20109827 104158827 CHEMBL594547 ZINC09246208 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545225 CCOC(=O)c1c(N)sc2CNCCc12 InChI=1S/C10H14N2O2S/c1-2-14-10(13)8-6-3-4-12-5-7(6)15-9(8)11/h12H,2-5,11H2,1H3 PVISNLMZGPDDEI-UHFFFAOYSA-N 50304467 CHEMBL595965::Ethyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride Adenosine receptor A1 Homo sapiens 11700 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304467&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 212359 104158828 CHEMBL595965 ZINC03614256 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545226 CN1CCc2c(C1)sc(N)c2C(O)=O InChI=1S/C9H12N2O2S/c1-11-3-2-5-6(4-11)14-8(10)7(5)9(12)13/h2-4,10H2,1H3,(H,12,13) VQZLJWGKOTZDDG-UHFFFAOYSA-N 50304468 2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid::CHEMBL608105 Adenosine receptor A1 Homo sapiens 11600 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304468&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1897979 104158829 CHEMBL608105 ZINC02272322 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545227 CN1CCc2c(C1)sc(N)c2C(=O)NNc1ccccc1 InChI=1S/C15H18N4OS/c1-19-8-7-11-12(9-19)21-14(16)13(11)15(20)18-17-10-5-3-2-4-6-10/h2-6,17H,7-9,16H2,1H3,(H,18,20) JHLZDNJTNGKADY-UHFFFAOYSA-N 50304469 2-Amino-6-methyl-N'-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbohydrazide hydrochloride::CHEMBL609297 Adenosine receptor A1 Homo sapiens 11500 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304469&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227350 104158830 CHEMBL609297 ZINC45389525 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545228 CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12 InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3 PFENFDGYVLAFBR-UHFFFAOYSA-N 50304470 CHEMBL592943::Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate Adenosine receptor A1 Homo sapiens 10300 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304470&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5480 104158831 CHEMBL592943 ZINC19313075 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545229 CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)OC(C)(C)C InChI=1S/C25H32ClN3O5S/c1-6-33-23(31)20-17-11-12-29(14-19(17)35-21(20)27)22(30)18(13-15-7-9-16(26)10-8-15)28(5)24(32)34-25(2,3)4/h7-10,18H,6,11-14,27H2,1-5H3/t18-/m1/s1 AHYKJBMMFFRXTG-GOSISDBHSA-N 50304471 (R)-Ethyl 2-amino-6-(2-(tert-butoxycarbonyl(methyl)-amino)-3-(4-chlorophenyl)propanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate::CHEMBL595981 Adenosine receptor A1 Homo sapiens 9100 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304471&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227373 104158832 CHEMBL595981 ZINC45353858 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545230 NC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12 InChI=1S/C15H17N3OS/c16-14(19)13-11-6-7-18(9-12(11)20-15(13)17)8-10-4-2-1-3-5-10/h1-5H,6-9,17H2,(H2,16,19) LGGWACZZAOTYKK-UHFFFAOYSA-N 50304472 2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride::CHEMBL594565 Adenosine receptor A1 Homo sapiens >20000 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304472&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4440797 104158833 CHEMBL594565 ZINC52570029 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545231 CN1CCc2c(C1)sc(N)c2C(N)=O InChI=1S/C9H13N3OS/c1-12-3-2-5-6(4-12)14-9(11)7(5)8(10)13/h2-4,11H2,1H3,(H2,10,13) RKGNQBHEDRIANC-UHFFFAOYSA-N 50304473 2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride::CHEMBL595982 Adenosine receptor A1 Homo sapiens >20000 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304473&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 611038 104158834 CHEMBL595982 ZINC02069146 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545232 CN1CCc2c(C1)sc(N)c2C#N InChI=1S/C9H11N3S/c1-12-3-2-6-7(4-10)9(11)13-8(6)5-12/h2-3,5,11H2,1H3 WVPOJZUKIIRHOQ-UHFFFAOYSA-N 50304474 2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile::CHEMBL595983 Adenosine receptor A1 Homo sapiens >20000 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304474&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 264296 104158835 CHEMBL595983 ZINC01654180 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545233 CC(C)(C)OC(=O)N1CCc2c(C1)sc(N)c2C#N InChI=1S/C13H17N3O2S/c1-13(2,3)18-12(17)16-5-4-8-9(6-14)11(15)19-10(8)7-16/h4-5,7,15H2,1-3H3 HFWVFBQVIXKINU-UHFFFAOYSA-N 50304475 CHEMBL595295::tert-Butyl 2-amino-3-cyano-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate Adenosine receptor A1 Homo sapiens >20000 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304475&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 2763861 104158836 CHEMBL595295 ZINC03883853 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545234 NNC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12 InChI=1S/C15H18N4OS/c16-14-13(15(20)18-17)11-6-7-19(9-12(11)21-14)8-10-4-2-1-3-5-10/h1-5H,6-9,16-17H2,(H,18,20) PXCJVAKHGUYTLR-UHFFFAOYSA-N 50304476 2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbohydrazide hydrochloride::CHEMBL611928 Adenosine receptor A1 Homo sapiens 8900 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304476&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227394 104158837 CHEMBL611928 ZINC52570030 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545235 Nc1sc2CN(Cc3ccccc3)CCc2c1C(O)=O InChI=1S/C15H16N2O2S/c16-14-13(15(18)19)11-6-7-17(9-12(11)20-14)8-10-4-2-1-3-5-10/h1-5H,6-9,16H2,(H,18,19) ZRXXYMHDTWZEPP-UHFFFAOYSA-N 50304477 2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid::CHEMBL611619 Adenosine receptor A1 Homo sapiens 8000 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304477&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 14476141 104158838 CHEMBL611619 ZINC19974552 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545236 CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C InChI=1S/C37H41N3O5S2/c1-5-44-34(42)31-28-21-22-40(23-30(28)47-32(31)38)33(41)29(39-35(43)45-36(2,3)4)24-46-37(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,29H,5,21-24,38H2,1-4H3,(H,39,43)/t29-/m0/s1 YSZYHLUCQBRKIH-LJAQVGFWSA-N 50304478 (R)-Ethyl 2-amino-6-(2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate::CHEMBL611618 Adenosine receptor A1 Homo sapiens 7900 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304478&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227374 104158839 CHEMBL611618 ZINC49774824 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545237 Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)NNc1ccccc1 InChI=1S/C21H22N4OS/c22-20-19(21(26)24-23-16-9-5-2-6-10-16)17-11-12-25(14-18(17)27-20)13-15-7-3-1-4-8-15/h1-10,23H,11-14,22H2,(H,24,26) YSTBBUBCBVJEAR-UHFFFAOYSA-N 50304479 2-Amino-6-benzyl-N'-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbohydrazide hydrochloride::CHEMBL594546 Adenosine receptor A1 Homo sapiens 7800 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304479&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227402 104158840 CHEMBL594546 ZINC53685049 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545238 CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C InChI=1S/C24H31N3O5S/c1-5-31-22(29)19-16-11-12-27(14-18(16)33-20(19)25)21(28)17(13-15-9-7-6-8-10-15)26-23(30)32-24(2,3)4/h6-10,17H,5,11-14,25H2,1-4H3,(H,26,30)/t17-/m0/s1 RTFPNWRHJSIKEJ-KRWDZBQOSA-N 50304480 (S)-Ethyl 2-amino-6-(2-(tert-butoxycarbonylamino)-3-phenylpropanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate::CHEMBL607427 Adenosine receptor A1 Homo sapiens 7200 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304480&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227370 104158841 CHEMBL607427 ZINC45385648 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545239 CN1CCc2c(C1)sc(N)c2C(=O)NN InChI=1S/C9H14N4OS/c1-13-3-2-5-6(4-13)15-8(10)7(5)9(14)12-11/h2-4,10-11H2,1H3,(H,12,14) KBRMBGGPZKWDKW-UHFFFAOYSA-N 50304481 2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbohydrazide hydrochloride::CHEMBL593181 Adenosine receptor A1 Homo sapiens 4400 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304481&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 39079816 104158842 CHEMBL593181 ZINC31862599 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545240 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3 KKDKAWKYGCUOGR-UHFFFAOYSA-N 50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723 Adenosine receptor A1 Homo sapiens 13600 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122028 103980705 CHEMBL59532 ZINC02379515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545241 Nc1sc2CN(Cc3ccccc3)CCc2c1C#N InChI=1S/C15H15N3S/c16-8-13-12-6-7-18(10-14(12)19-15(13)17)9-11-4-2-1-3-5-11/h1-5H,6-7,9-10,17H2 BWNBNBHFRHCKTK-UHFFFAOYSA-N 50304482 2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile::CHEMBL610485 Adenosine receptor A1 Homo sapiens 15200 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304482&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 562794 104158843 CHEMBL610485 ZINC19595319 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545242 Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)NCc1cccc(c1)C(F)(F)F InChI=1S/C23H22F3N3OS/c24-23(25,26)17-8-4-7-16(11-17)12-28-22(30)20-18-9-10-29(14-19(18)31-21(20)27)13-15-5-2-1-3-6-15/h1-8,11H,9-10,12-14,27H2,(H,28,30) ZIZUNEVQCFJMRS-UHFFFAOYSA-N 50304483 2-Amino-6-benzyl-N-(3-(trifluoromethyl)benzyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride::CHEMBL606345 Adenosine receptor A1 Homo sapiens 15500 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304483&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227392 104158844 CHEMBL606345 ZINC49771960 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545243 Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)c1ccc(Cl)cc1 InChI=1S/C21H19ClN2OS/c22-16-8-6-15(7-9-16)20(25)19-17-10-11-24(13-18(17)26-21(19)23)12-14-4-2-1-3-5-14/h1-9H,10-13,23H2 LUEXTQZEWNFRIZ-UHFFFAOYSA-N 50080545 (2-Amino-6-benzyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-3-yl)-(4-chloro-phenyl)-methanone::(2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)(4-chlorophenyl)methanone::CHEMBL303124::PD-117915 Adenosine receptor A1 Homo sapiens >20000 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080545&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 2814020 103980700 CHEMBL303124 ZINC20432003 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545244 CCOC(=O)c1c(N)sc2CN(C)CCc12 InChI=1S/C11H16N2O2S/c1-3-15-11(14)9-7-4-5-13(2)6-8(7)16-10(9)12/h3-6,12H2,1-2H3 BLLSMPCWRPCBDL-UHFFFAOYSA-N 50304484 CHEMBL594791::Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate Adenosine receptor A1 Homo sapiens >20000 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304484&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 207319 104158845 CHEMBL594791 ZINC00066623 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545245 Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)NCc1cccc(Cl)c1 InChI=1S/C22H22ClN3OS/c23-17-8-4-7-16(11-17)12-25-22(27)20-18-9-10-26(14-19(18)28-21(20)24)13-15-5-2-1-3-6-15/h1-8,11H,9-10,12-14,24H2,(H,25,27) YUUBMDDNBLGADF-UHFFFAOYSA-N 50304485 2-Amino-6-benzyl-N-(3-chlorobenzyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride::CHEMBL603628 Adenosine receptor A1 Homo sapiens >20000 ChEMBL 10.1016/j.bmc.2009.08.024 10.7270/Q2H9959W 19751980 Aurelio, L; Valant, C; Figler, H; Flynn, BL; Linden, J; Sexton, PM; Christopoulos, A; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304485&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46227386 104158846 CHEMBL603628 ZINC49768400 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50554153 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A1 Homo sapiens 10100 ChEMBL 10.1016/j.bmc.2010.02.014 10.7270/Q2QZ2B2K 20202853 Hierrezuelo, J; Manuel Lopez-Romero, J; Rico, R; Brea, J; Isabel Loza, M; Cai, C; Algarra, M Universidad de M£laga http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50554154 Cn1c2ncn(CCOCCOCCOCCOCCCCCCCCCC=C)c2c(=O)n(C)c1=O InChI=1S/C26H44N4O6/c1-4-5-6-7-8-9-10-11-12-14-33-16-18-35-20-21-36-19-17-34-15-13-30-22-27-24-23(30)25(31)29(3)26(32)28(24)2/h4,22H,1,5-21H2,2-3H3 VWEZUVSKUQSAQQ-UHFFFAOYSA-N 50308565 7-(3,6,9,12-tetraoxatricos-22-enyl)theophylline::CHEMBL591242 Adenosine receptor A1 Homo sapiens 5000 ChEMBL 10.1016/j.bmc.2010.02.014 10.7270/Q2QZ2B2K 20202853 Hierrezuelo, J; Manuel Lopez-Romero, J; Rico, R; Brea, J; Isabel Loza, M; Cai, C; Algarra, M Universidad de M£laga http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308565&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46229111 104162926 CHEMBL591242 ZINC45338779 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50554161 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1OCC(N)=O InChI=1S/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-7-5-6-8-13(12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22) REMQBCPIBRIHFM-UHFFFAOYSA-N 50308568 2-(2-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::CHEMBL589288 Adenosine receptor A1 Homo sapiens 23.2 ChEMBL 10.1016/j.bmc.2010.02.014 10.7270/Q2QZ2B2K 20202853 Hierrezuelo, J; Manuel Lopez-Romero, J; Rico, R; Brea, J; Isabel Loza, M; Cai, C; Algarra, M Universidad de M£laga http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308568&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46229143 104162929 CHEMBL589288 ZINC45337333 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533468 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccc(cc1)C(C)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc2ncnc(NC3CCCC3)c2[nH]1 InChI=1S/C39H50N8O5/c1-3-30(48)47(29-18-21-46(22-19-29)20-17-25-9-5-4-6-10-25)28-15-13-26(14-16-28)24(2)42-39(51)35-33(50)32(49)34(52-35)38-44-31-36(40-23-41-37(31)45-38)43-27-11-7-8-12-27/h4-6,9-10,13-16,23-24,27,29,32-35,49-50H,3,7-8,11-12,17-22H2,1-2H3,(H,42,51)(H2,40,41,43,44,45)/t24?,32-,33+,34-,35+/m1/s1 BNEDSCDAJNXWFC-QUKQHMBXSA-N 50299696 (2S,3S,4R,5S)-5-(6-(cyclopentylamino)-9H-purin-8-yl)-3,4-dihydroxy-N-(1-(4-(N-(1-phenethylpiperidin-4-yl)propionamido)phenyl)ethyl)tetrahydrofuran-2-carboxamide::CHEMBL572393 Adenosine receptor A1 Homo sapiens 800 ChEMBL 10.1016/j.bmcl.2009.09.112 10.7270/Q2VT1S67 19836950 Mathew, SC; Ghosh, N; By, Y; Berthault, A; Virolleaud, MA; Carrega, L; Chouraqui, G; Commeiras, L; Condo, J; Attolini, M; Gaudel-Siri, A; Ruf, J; Parrain, JL; Rodriguez, J; Guieu, R Aix-Marseille Universit£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299696&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482869 104141225 CHEMBL572393 ZINC49695457 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533471 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 12.9 ChEMBL 10.1016/j.bmcl.2009.09.112 10.7270/Q2VT1S67 19836950 Mathew, SC; Ghosh, N; By, Y; Berthault, A; Virolleaud, MA; Carrega, L; Chouraqui, G; Commeiras, L; Condo, J; Attolini, M; Gaudel-Siri, A; Ruf, J; Parrain, JL; Rodriguez, J; Guieu, R Aix-Marseille Universit£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533473 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 UZHSEJADLWPNLE-GRGSLBFTSA-N 50000788 (morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(naloxone) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one( Naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(Naxolone)::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(naloxone)C2H2O4::Analog of 14-(Arylhydroxyamino)codeinone::NALOXONE::NARCAN::SUBOXONE::[17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one Adenosine receptor A1 Homo sapiens >50000 ChEMBL 10.1016/j.bmcl.2009.09.112 10.7270/Q2VT1S67 19836950 Mathew, SC; Ghosh, N; By, Y; Berthault, A; Virolleaud, MA; Carrega, L; Chouraqui, G; Commeiras, L; Condo, J; Attolini, M; Gaudel-Siri, A; Ruf, J; Parrain, JL; Rodriguez, J; Guieu, R Aix-Marseille Universit£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000788&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5284596 103915330 7459 DB01183 1676 C07252 ZINC00389747 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533475 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 HPZJMUBDEAMBFI-WTNAPCKOSA-N 21015 (2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-N-methylacetamido}-N-(2-hydroxyethyl)-3-phenylpropanamide::2-Ala-4-MePhe-5-Gly-Enkephalin::CHEMBL38874::D-Ala2-MePhe4-Met(0)5-enkephalin-ol::DAMGO::RX 783006::US11492374, ID 2::[3H]DAMGO::[tyrosyl-3,5-3H(N)]-D-Ala2-Mephe4-glyol5-enkephalin Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2009.09.112 10.7270/Q2VT1S67 19836950 Mathew, SC; Ghosh, N; By, Y; Berthault, A; Virolleaud, MA; Carrega, L; Chouraqui, G; Commeiras, L; Condo, J; Attolini, M; Gaudel-Siri, A; Ruf, J; Parrain, JL; Rodriguez, J; Guieu, R Aix-Marseille Universit£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21015&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5462471 49689088 CHEMBL38874 1647 C04080 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533491 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1 InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 AVTOZWUEVSSUNP-KSVNGYGVSA-N 50205710 (2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-phenylethynyl-9H-purin-3-yl)-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-(phenylethynyl)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::CHEMBL221206 Adenosine receptor A1 Homo sapiens 9140 ChEMBL 10.1021/jm900754g 10.7270/Q2R211G6 19839592 Volpini, R; Buccioni, M; Dal Ben, D; Lambertucci, C; Lammi, C; Marucci, G; Ramadori, AT; Klotz, KN; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205710&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16115903 104083998 CHEMBL221206 ZINC34800901 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533492 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(OC)cc1 InChI=1S/C21H22N6O6/c1-22-20(30)17-15(28)16(29)21(33-17)27-10-23-14-18(26-32-3)24-13(25-19(14)27)9-6-11-4-7-12(31-2)8-5-11/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,22,30)(H,24,25,26)/t15-,16+,17-,21+/m0/s1 XYTDRWRAFKROSX-GRXQJBFDSA-N 50299700 (2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-((4-methoxyphenyl)ethynyl)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::CHEMBL573950 Adenosine receptor A1 Homo sapiens 53800 ChEMBL 10.1021/jm900754g 10.7270/Q2R211G6 19839592 Volpini, R; Buccioni, M; Dal Ben, D; Lambertucci, C; Lammi, C; Marucci, G; Ramadori, AT; Klotz, KN; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299700&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482870 104141229 CHEMBL573950 ZINC45287072 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533493 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1 InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1 ONKUERGTTKQFGY-KSVNGYGVSA-N 50205722 (2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(methoxyamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide::2-[(4-fluorophenyl)ethynyl]-N6-methoxy-5'-N-methylcarboxamidoadenosine::CHEMBL427077 Adenosine receptor A1 Homo sapiens 3000 ChEMBL 10.1021/jm900754g 10.7270/Q2R211G6 19839592 Volpini, R; Buccioni, M; Dal Ben, D; Lambertucci, C; Lammi, C; Marucci, G; Ramadori, AT; Klotz, KN; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205722&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16115616 104084010 CHEMBL427077 ZINC34800902 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533494 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1 MYYKMRQUGDDSHS-QCUYGVNKSA-N 50205729 (2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-(pyridin-2-ylethynyl)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::CHEMBL223514::N6-methoxy-2-[(2-pyridinyl)ethynyl]-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 3990 ChEMBL 10.1021/jm900754g 10.7270/Q2R211G6 19839592 Volpini, R; Buccioni, M; Dal Ben, D; Lambertucci, C; Lammi, C; Marucci, G; Ramadori, AT; Klotz, KN; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205729&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16115614 104084017 CHEMBL223514 ZINC34800895 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533495 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1 PAFSPMXSTBOTSN-KSVNGYGVSA-N 50299701 CHEMBL574602::N6-Methyl-2-phenylethynyl-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 32800 ChEMBL 10.1021/jm900754g 10.7270/Q2R211G6 19839592 Volpini, R; Buccioni, M; Dal Ben, D; Lambertucci, C; Lammi, C; Marucci, G; Ramadori, AT; Klotz, KN; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299701&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44598833 104141230 CHEMBL574602 ZINC45286815 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533496 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 InChI=1S/C21H22N6O5/c1-22-18-14-19(26-13(25-18)9-6-11-4-7-12(31-3)8-5-11)27(10-24-14)21-16(29)15(28)17(32-21)20(30)23-2/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,23,30)(H,22,25,26)/t15-,16+,17-,21+/m0/s1 GWUTYPOQNDVGIT-GRXQJBFDSA-N 50299702 2-(4-Acetylphenyl)ethynyl-N6-methyl-5'-N-methylcarboxamidoadenosine::CHEMBL573032 Adenosine receptor A1 Homo sapiens 10200 ChEMBL 10.1021/jm900754g 10.7270/Q2R211G6 19839592 Volpini, R; Buccioni, M; Dal Ben, D; Lambertucci, C; Lammi, C; Marucci, G; Ramadori, AT; Klotz, KN; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299702&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482874 104141231 CHEMBL573032 ZINC45284065 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533497 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1 ANVULPCYYRRANV-KSVNGYGVSA-N 50299703 2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcarboxamidoadenosine::CHEMBL573269 Adenosine receptor A1 Homo sapiens 5310 ChEMBL 10.1021/jm900754g 10.7270/Q2R211G6 19839592 Volpini, R; Buccioni, M; Dal Ben, D; Lambertucci, C; Lammi, C; Marucci, G; Ramadori, AT; Klotz, KN; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299703&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44598835 104141232 CHEMBL573269 ZINC45284413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50533498 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1 VICVZCMBYDYFRR-QCUYGVNKSA-N 50299697 2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarboxamidoadenosine::CHEMBL575027 Adenosine receptor A1 Homo sapiens 8740 ChEMBL 10.1021/jm900754g 10.7270/Q2R211G6 19839592 Volpini, R; Buccioni, M; Dal Ben, D; Lambertucci, C; Lammi, C; Marucci, G; Ramadori, AT; Klotz, KN; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299697&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44598836 104141226 CHEMBL575027 ZINC45288961 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545529 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 InChI=1S/C13H18N6O3S/c1-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14-2)16-4-17-11(6)19/h4-5,7-9,13,20-21H,3H2,1-2H3,(H,15,22)(H,14,16,17)/t7-,8+,9-,13+/m0/s1 GTPFYMBIEWJDQJ-QRIDJOKKSA-N 50304634 9-(5'-Ethylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)-N6-methyladenine::CHEMBL611359 Adenosine receptor A1 Homo sapiens 4.83 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304634&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226780 104158995 CHEMBL611359 ZINC45394386 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545536 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H21IN6O3S/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1 XROLQKSRXCUQAD-QCUYGVNKSA-N 50304635 9-(5'-Ethylaminocarbonyl-4-thio-beta-D-ribofuranosyl)-N6-(3-iodo-benzyl)adenine::CHEMBL596042 Adenosine receptor A1 Homo sapiens 5.4 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304635&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226812 104158996 CHEMBL596042 ZINC49761812 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545538 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 InChI=1S/C15H20N6O3S/c1-16-12-8-13(18-5-17-12)21(6-19-8)15-10(23)9(22)11(25-15)14(24)20-7-3-2-4-7/h5-7,9-11,15,22-23H,2-4H2,1H3,(H,20,24)(H,16,17,18)/t9-,10+,11-,15+/m0/s1 OWZJSHUHYXQQIH-BQVMBELUSA-N 50304630 9-(5'-Cyclobutylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)-N6-methyladenine::CHEMBL606630 Adenosine receptor A1 Homo sapiens 6.27 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304630&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226793 104158991 CHEMBL606630 ZINC45388349 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545539 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 InChI=1S/C14H18N6O3S/c1-15-11-7-12(17-4-16-11)20(5-18-7)14-9(22)8(21)10(24-14)13(23)19-6-2-3-6/h4-6,8-10,14,21-22H,2-3H2,1H3,(H,19,23)(H,15,16,17)/t8-,9+,10-,14+/m0/s1 OHXZOAPLKFBSPO-AEISUSGSSA-N 50304638 9-(5'-Cyclopropylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)-N6-methyladenine::CHEMBL596460 Adenosine receptor A1 Homo sapiens 6.58 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304638&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226791 104158999 CHEMBL596460 ZINC45358801 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545540 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C20H21IN6O3S/c21-11-3-1-2-10(6-11)7-22-17-13-18(24-8-23-17)27(9-25-13)20-15(29)14(28)16(31-20)19(30)26-12-4-5-12/h1-3,6,8-9,12,14-16,20,28-29H,4-5,7H2,(H,26,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 QJASBJLIRRYHNM-KSVNGYGVSA-N 50304637 9-(5'-Cyclopropylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)-N6-(3-iodo-benzyl)adenine::CHEMBL596014 Adenosine receptor A1 Homo sapiens 9.27 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304637&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226822 104158998 CHEMBL596014 ZINC49762142 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545541 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1 InChI=1S/C15H20N6O3S/c1-16-12-8-13(19-5-18-12)21(6-20-8)15-10(23)9(22)11(25-15)14(24)17-4-7-2-3-7/h5-7,9-11,15,22-23H,2-4H2,1H3,(H,17,24)(H,16,18,19)/t9-,10+,11-,15+/m0/s1 LSWQMQLCWKOCGP-BQVMBELUSA-N 50304632 9-(5'-Cyclopropylmethylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)-N6-methyladenine::CHEMBL594619 Adenosine receptor A1 Homo sapiens 33.1 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304632&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226792 104158993 CHEMBL594619 ZINC45349479 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545544 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O3S/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 GWXXZRJKZRKCOK-MOROJQBDSA-N 50252829 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL522152::N6-(3-Iodo-benzyl)-9-(5'-methylaminocarbonyl-4'-thiobeta-D-ribofuranosyl)adenine Adenosine receptor A1 Homo sapiens 20.2 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252829&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44568838 104105555 CHEMBL522152 ZINC42889331 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545545 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C21H23IN6O3S/c22-12-4-1-3-11(7-12)8-23-18-14-19(25-9-24-18)28(10-26-14)21-16(30)15(29)17(32-21)20(31)27-13-5-2-6-13/h1,3-4,7,9-10,13,15-17,21,29-30H,2,5-6,8H2,(H,27,31)(H,23,24,25)/t15-,16+,17-,21+/m0/s1 PUEDTBNXXLQHND-GRXQJBFDSA-N 50304633 9-(5'-Cyclobutylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)-N6-(3-iodobenzyl)adenine::CHEMBL594625 Adenosine receptor A1 Homo sapiens 23.6 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304633&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226841 104158994 CHEMBL594625 ZINC49757114 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545546 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 InChI=1S/C12H16N6O3S/c1-13-9-5-10(16-3-15-9)18(4-17-5)12-7(20)6(19)8(22-12)11(21)14-2/h3-4,6-8,12,19-20H,1-2H3,(H,14,21)(H,13,15,16)/t6-,7+,8-,12+/m0/s1 VTYLTHJPDKHLQM-FLNNQWSLSA-N 50304636 CHEMBL608680::N6-Methyl-9-(5'-methylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)adenine Adenosine receptor A1 Homo sapiens 69.5 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304636&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226779 104158997 CHEMBL608680 ZINC45391801 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545551 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCC1 InChI=1S/C16H22N6O3S/c1-17-13-9-14(19-6-18-13)22(7-20-9)16-11(24)10(23)12(26-16)15(25)21-8-4-2-3-5-8/h6-8,10-12,16,23-24H,2-5H2,1H3,(H,21,25)(H,17,18,19)/t10-,11+,12-,16+/m0/s1 OILIJHVBFGMMHK-MEQWQQMJSA-N 50304631 9-(5'-Cyclopentylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)-N6-methyladenine::CHEMBL595569 Adenosine receptor A1 Homo sapiens 48.6 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304631&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226797 104158992 CHEMBL595569 ZINC45347616 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545555 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A1 Homo sapiens 222 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545559 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C21H23IN6O3S/c22-13-3-1-2-12(6-13)8-23-18-14-19(26-9-25-18)28(10-27-14)21-16(30)15(29)17(32-21)20(31)24-7-11-4-5-11/h1-3,6,9-11,15-17,21,29-30H,4-5,7-8H2,(H,24,31)(H,23,25,26)/t15-,16+,17-,21+/m0/s1 WJGVCGYKHQZFKY-GRXQJBFDSA-N 50304639 9-(5'-Cyclopropylmethylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)-N6-(3-iodobenzyl)adenine::CHEMBL603424 Adenosine receptor A1 Homo sapiens 159 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304639&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226840 104159000 CHEMBL603424 ZINC49766559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545560 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IRIUFVPPSHYZRM-PFHKOEEOSA-N 50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732 Adenosine receptor A1 Homo sapiens 193 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180197&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11813713 104065330 CHEMBL200732 ZINC28563903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545568 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 InChI=1S/C12H15ClN6O3S/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18)/t5-,6+,7-,11+/m0/s1 KQEDWUPJFFHILG-QMWPFBOUSA-N 50180206 (2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::2-chloro-N6-methyl-4'-thioadenosine-5'-methyluronamide::CHEMBL201706 Adenosine receptor A1 Homo sapiens 1330 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180206&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9863617 104065339 CHEMBL201706 ZINC03817169 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545569 Cc1cccc(CNC(=O)[C@H]2S[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NCc4cccc(I)c4)ncnc23)c1 InChI=1S/C25H25IN6O3S/c1-14-4-2-5-15(8-14)11-28-24(35)21-19(33)20(34)25(36-21)32-13-31-18-22(29-12-30-23(18)32)27-10-16-6-3-7-17(26)9-16/h2-9,12-13,19-21,25,33-34H,10-11H2,1H3,(H,28,35)(H,27,29,30)/t19-,20+,21-,25+/m0/s1 OTLLOWVCQZZFPZ-UGCAPWQASA-N 50304646 CHEMBL596027::N6-(3-Iodo-benzyl)-9-[5'-(3-methyl-benzylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)]adenine Adenosine receptor A1 Homo sapiens 4070 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50304646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50304646&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46226873 104159007 CHEMBL596027 ZINC49757426 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50545571 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 51 ChEMBL 10.1016/j.bmc.2009.10.011 10.7270/Q29K4B9Z 19879151 Choi, WJ; Lee, HW; Kim, HO; Chinn, M; Gao, ZG; Patel, A; Jacobson, KA; Moon, HR; Jung, YH; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530604 O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39) OOTVLKSCGYKBDY-UHFFFAOYSA-N 50133368 CHEMBL335950::N-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-(naphthalen-1-yl)acetamide::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-naphthalen-1-yl-acetamide Adenosine receptor A1 Homo sapiens 710 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133368&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10007115 104024199 CHEMBL335950 ZINC27425704 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530605 Cn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C25H19N7O2/c1-31-15-18-21(29-31)27-25(32-23(18)26-22(30-32)19-13-8-14-34-19)28-24(33)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,27,28,29,33) ZIPKODOOTJSIEO-UHFFFAOYSA-N 50298557 5-[(Diphenylmethyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL578224 Adenosine receptor A1 Homo sapiens 139 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298557&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481750 104140086 CHEMBL578224 ZINC45298464 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530606 Cn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C25H19N7O2/c1-31-15-19-22(29-31)28-25(32-24(19)27-23(30-32)20-8-5-13-34-20)26-21(33)14-16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,26,28,29,33) JKQXAKZVTHNFEB-UHFFFAOYSA-N 50298556 5-[(4-Biphenylmethyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL574323 Adenosine receptor A1 Homo sapiens 1460 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298556&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481751 104140085 CHEMBL574323 ZINC45285906 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530607 CC(C)CCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C29H27N7O2/c1-19(2)15-16-35-18-22-25(33-35)31-29(36-27(22)30-26(34-36)23-14-9-17-38-23)32-28(37)24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-14,17-19,24H,15-16H2,1-2H3,(H,31,32,33,37) PGPVKUCEAXXSDX-UHFFFAOYSA-N 50298555 5-[(Diphenylmethyl)carbonyl]amino-8-isopentyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL577588 Adenosine receptor A1 Homo sapiens 441 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298555&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481752 104140084 CHEMBL577588 ZINC45290222 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530608 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C29H27N7O2/c1-19(2)14-15-35-18-23-26(33-35)32-29(36-28(23)31-27(34-36)24-9-6-16-38-24)30-25(37)17-20-10-12-22(13-11-20)21-7-4-3-5-8-21/h3-13,16,18-19H,14-15,17H2,1-2H3,(H,30,32,33,37) RGWTYDHLECVCQV-UHFFFAOYSA-N 50298554 5-[(4-Biphenylmethyl)carbonyl]amino-8-isopentyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL576351 Adenosine receptor A1 Homo sapiens 84.3 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298554&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481759 104140083 CHEMBL576351 ZINC45289157 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530609 O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1 InChI=1S/C32H25N7O2/c40-31(27(23-13-6-2-7-14-23)24-15-8-3-9-16-24)35-32-34-28-25(21-38(36-28)19-18-22-11-4-1-5-12-22)30-33-29(37-39(30)32)26-17-10-20-41-26/h1-17,20-21,27H,18-19H2,(H,34,35,36,40) LWYRFEDQIGXNNB-UHFFFAOYSA-N 50298553 5-[(Diphenylmethyl)carbonyl]amino-8-(2-phenylethyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL573780 Adenosine receptor A1 Homo sapiens 115 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298553&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481760 104140082 CHEMBL573780 ZINC49695207 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530610 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C32H25N7O2/c40-28(20-23-13-15-25(16-14-23)24-10-5-2-6-11-24)33-32-35-29-26(21-38(36-29)18-17-22-8-3-1-4-9-22)31-34-30(37-39(31)32)27-12-7-19-41-27/h1-16,19,21H,17-18,20H2,(H,33,35,36,40) PNOQQVSGIKLEDH-UHFFFAOYSA-N 50298552 5-[(4-Biphenylmethyl)carbonyl]amino-8-(2-phenylethyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL573771 Adenosine receptor A1 Homo sapiens 84.3 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298552&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481761 104140081 CHEMBL573771 ZINC49695305 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530611 CCCCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C28H25N7O2/c1-2-3-16-34-18-21-24(32-34)30-28(35-26(21)29-25(33-35)22-15-10-17-37-22)31-27(36)23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-15,17-18,23H,2-3,16H2,1H3,(H,30,31,32,36) KTDPNBIMPLZPCK-UHFFFAOYSA-N 50298551 5-[(Diphenylmethyl)carbonyl]amino-8-n-butyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL572906 Adenosine receptor A1 Homo sapiens 129 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298551&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481621 104140080 CHEMBL572906 ZINC45283749 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530612 CCCCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C28H25N7O2/c1-2-3-15-34-18-22-25(32-34)31-28(35-27(22)30-26(33-35)23-10-7-16-37-23)29-24(36)17-19-11-13-21(14-12-19)20-8-5-4-6-9-20/h4-14,16,18H,2-3,15,17H2,1H3,(H,29,31,32,36) ZGRPHXBYYFJHFB-UHFFFAOYSA-N 50298550 5-[(4-Biphenylmethyl)carbonyl]amino-8-n-butyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL573360 Adenosine receptor A1 Homo sapiens 381 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481771 104140079 CHEMBL573360 ZINC45261858 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530613 Cn1cc2c(n1)nc(NC(=O)Cc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H14ClN7O2/c1-26-10-13-16(24-26)23-19(21-15(28)9-11-4-2-5-12(20)8-11)27-18(13)22-17(25-27)14-6-3-7-29-14/h2-8,10H,9H2,1H3,(H,21,23,24,28) CAEIDEVSQAUGPM-UHFFFAOYSA-N 50298549 2-(3-chlorophenyl)-N-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide::CHEMBL583960 Adenosine receptor A1 Homo sapiens 410 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298549&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481753 104140078 CHEMBL583960 ZINC45317159 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530614 CCCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C27H23N7O2/c1-2-15-33-17-20-23(31-33)29-27(34-25(20)28-24(32-34)21-14-9-16-36-21)30-26(35)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-14,16-17,22H,2,15H2,1H3,(H,29,30,31,35) SPJOIESQTFYCRI-UHFFFAOYSA-N 50298548 5-[(Diphenylmethyl)carbonyl]amino-8-n-propyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL574775 Adenosine receptor A1 Homo sapiens 80.2 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298548&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481754 104140077 CHEMBL574775 ZINC45285927 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530615 CCn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H15N7O2S/c1-2-24-9-12-15(22-24)21-18(19-14(26)8-11-5-7-28-10-11)25-17(12)20-16(23-25)13-4-3-6-27-13/h3-7,9-10H,2,8H2,1H3,(H,19,21,22,26) JCHVSBJSIWAJIF-UHFFFAOYSA-N 50298537 5-[(3-Thienylmethyl)carbonyl]amino-8-ethyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL575198 Adenosine receptor A1 Homo sapiens 154 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298537&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481756 104140066 CHEMBL575198 ZINC45290729 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530616 CCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1 InChI=1S/C18H15N7O2S/c1-2-24-10-12-15(22-24)21-18(19-14(26)9-11-5-4-8-28-11)25-17(12)20-16(23-25)13-6-3-7-27-13/h3-8,10H,2,9H2,1H3,(H,19,21,22,26) BSHVIZOMKDIGSF-UHFFFAOYSA-N 50298536 5-[(2-Thienylmethyl)carbonyl]amino-8-ethyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL573779 Adenosine receptor A1 Homo sapiens 148 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298536&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481757 104140065 CHEMBL573779 ZINC45261899 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530617 Cn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1 InChI=1S/C17H13N7O2S/c1-23-9-11-14(21-23)20-17(18-13(25)8-10-4-3-7-27-10)24-16(11)19-15(22-24)12-5-2-6-26-12/h2-7,9H,8H2,1H3,(H,18,20,21,25) MAMZCDKFGXUXCZ-UHFFFAOYSA-N 50298535 5-[(2-Thienylmethyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL573807 Adenosine receptor A1 Homo sapiens 444 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298535&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482462 104140064 CHEMBL573807 ZINC45285861 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530618 Cn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1 InChI=1S/C17H13N7O2S/c1-23-8-11-14(21-23)20-17(18-13(25)7-10-4-6-27-9-10)24-16(11)19-15(22-24)12-3-2-5-26-12/h2-6,8-9H,7H2,1H3,(H,18,20,21,25) FPXXLJCAHCXGGB-UHFFFAOYSA-N 50298534 5-[(3-Thienylmethyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL576369 Adenosine receptor A1 Homo sapiens 461 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298534&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481758 104140063 CHEMBL576369 ZINC45298611 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530619 Cn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C23H17N7O2/c1-29-13-17-20(27-29)26-23(30-22(17)25-21(28-30)18-7-4-10-32-18)24-19(31)12-14-8-9-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,24,26,27,31) URTMGLWEEROVNL-UHFFFAOYSA-N 50298533 5-[(beta-Naphthylmethyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL575204 Adenosine receptor A1 Homo sapiens 190 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298533&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481769 104140062 CHEMBL575204 ZINC45291595 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530620 Cn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 InChI=1S/C23H17N7O2/c1-29-13-17-20(27-29)26-23(30-22(17)25-21(28-30)18-10-5-11-32-18)24-19(31)12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,13H,12H2,1H3,(H,24,26,27,31) CLBNKLILBCVMBG-UHFFFAOYSA-N 50298532 5-[(alpha-Naphthylmethyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL575825 Adenosine receptor A1 Homo sapiens 872 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298532&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482093 104140061 CHEMBL575825 ZINC45289080 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530621 CCCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 InChI=1S/C25H21N7O2/c1-2-12-31-15-19-22(29-31)28-25(32-24(19)27-23(30-32)20-11-6-13-34-20)26-21(33)14-17-9-5-8-16-7-3-4-10-18(16)17/h3-11,13,15H,2,12,14H2,1H3,(H,26,28,29,33) RNDOSOMHDANIOO-UHFFFAOYSA-N 50298531 5-[(alpha-Naphthylmethyl)carbonyl]amino-8-n-propyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL576018 Adenosine receptor A1 Homo sapiens 388 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298531&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482075 104140060 CHEMBL576018 ZINC45300538 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530622 CCCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C25H21N7O2/c1-2-11-31-15-19-22(29-31)28-25(32-24(19)27-23(30-32)20-8-5-12-34-20)26-21(33)14-16-9-10-17-6-3-4-7-18(17)13-16/h3-10,12-13,15H,2,11,14H2,1H3,(H,26,28,29,33) JEQYPTSYIYWQSD-UHFFFAOYSA-N 50298530 5-[(beta-Naphthylmethyl)carbonyl]amino-8-n-propyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL577135 Adenosine receptor A1 Homo sapiens 160 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298530&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482080 104140059 CHEMBL577135 ZINC45300638 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530623 CCCCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 InChI=1S/C26H23N7O2/c1-2-3-13-32-16-20-23(30-32)29-26(33-25(20)28-24(31-33)21-12-7-14-35-21)27-22(34)15-18-10-6-9-17-8-4-5-11-19(17)18/h4-12,14,16H,2-3,13,15H2,1H3,(H,27,29,30,34) IHCCZGZWMAXCAY-UHFFFAOYSA-N 50298529 5-[(alpha-Naphthylmethyl)carbonyl]amino-8-n-butyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL575386 Adenosine receptor A1 Homo sapiens 170 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298529&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482082 104140058 CHEMBL575386 ZINC45299952 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530624 Cn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C20H14F3N7O2/c1-29-10-13-16(27-29)26-19(30-18(13)25-17(28-30)14-3-2-8-32-14)24-15(31)9-11-4-6-12(7-5-11)20(21,22)23/h2-8,10H,9H2,1H3,(H,24,26,27,31) WHPZFJZIANMYCZ-UHFFFAOYSA-N 50298528 5-[(4-Trifluorobenzyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL575604 Adenosine receptor A1 Homo sapiens 768 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298528&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482083 104140057 CHEMBL575604 ZINC45300238 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530625 CCCCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1 InChI=1S/C20H19N7O2S/c1-2-3-8-26-12-14-17(24-26)23-20(21-16(28)11-13-6-5-10-30-13)27-19(14)22-18(25-27)15-7-4-9-29-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,21,23,24,28) RGMFJNIWCNZAIC-UHFFFAOYSA-N 50298527 5-[(2-Thienylmethyl)carbonyl]amino-8-n-butyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL574489 Adenosine receptor A1 Homo sapiens 70.1 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298527&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482085 104140056 CHEMBL574489 ZINC45287962 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530626 CCCCn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H19N7O2S/c1-2-3-7-26-11-14-17(24-26)23-20(21-16(28)10-13-6-9-30-12-13)27-19(14)22-18(25-27)15-5-4-8-29-15/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,21,23,24,28) BWVWAUCUOBLJRU-UHFFFAOYSA-N 50298526 5-[(3-Thienylmethyl)carbonyl]amino-8-n-butyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL572601 Adenosine receptor A1 Homo sapiens 25.5 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298526&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482086 104140055 CHEMBL572601 ZINC45283365 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530627 Cn1cc2c(n1)nc(NC(=O)COc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H14ClN7O3/c1-26-9-13-16(24-26)23-19(21-15(28)10-30-12-6-4-11(20)5-7-12)27-18(13)22-17(25-27)14-3-2-8-29-14/h2-9H,10H2,1H3,(H,21,23,24,28) LTBIZNONWUAKEZ-UHFFFAOYSA-N 50298525 5-[(4-Chlorophenoxymethyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL577162 Adenosine receptor A1 Homo sapiens 963 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298525&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482088 104140054 CHEMBL577162 ZINC45298371 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530628 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C23H22ClN7O2/c1-14(2)8-9-30-13-17-20(28-30)27-23(25-19(32)12-15-5-3-6-16(24)11-15)31-22(17)26-21(29-31)18-7-4-10-33-18/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,25,27,28,32) YNOOWRUDBQSIPX-UHFFFAOYSA-N 50298524 5-[(3-Chlorobenzyl)carbonyl]amino-8-isopentyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL576185 Adenosine receptor A1 Homo sapiens 13.7 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298524&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481619 104140053 CHEMBL576185 ZINC45300849 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530629 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C23H22ClN7O2/c1-14(2)9-10-30-13-17-20(28-30)27-23(25-19(32)12-15-5-7-16(24)8-6-15)31-22(17)26-21(29-31)18-4-3-11-33-18/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,25,27,28,32) KASKCLZTEOJTOF-UHFFFAOYSA-N 50298523 5-[(4-Chlorobenzyl)carbonyl]amino-8-isopentyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL573327 Adenosine receptor A1 Homo sapiens 22.6 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298523&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482090 104140052 CHEMBL573327 ZINC45285127 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530630 Clc1cccc(CC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C26H20ClN7O2/c27-19-9-4-8-18(14-19)15-22(35)28-26-30-23-20(16-33(31-23)12-11-17-6-2-1-3-7-17)25-29-24(32-34(25)26)21-10-5-13-36-21/h1-10,13-14,16H,11-12,15H2,(H,28,30,31,35) NTKJQGBWJRLWPG-UHFFFAOYSA-N 50298522 5-[(3-Chlorobenzyl)carbonyl]amino-8-(2-phenylethyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL572386 Adenosine receptor A1 Homo sapiens 13.2 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298522&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482094 104140051 CHEMBL572386 ZINC45285458 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530631 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C24H22F3N7O2/c1-14(2)9-10-33-13-17-20(31-33)30-23(34-22(17)29-21(32-34)18-4-3-11-36-18)28-19(35)12-15-5-7-16(8-6-15)24(25,26)27/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,28,30,31,35) ZLVKAFAJRCAQAS-UHFFFAOYSA-N 50298521 5-[(4-Trifluorobenzyl)carbonyl]amino-8-isopentyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL574263 Adenosine receptor A1 Homo sapiens 48.2 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298521&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44537897 104140050 CHEMBL574263 ZINC45283854 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530632 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C23H22FN7O2/c1-14(2)9-10-30-13-17-20(28-30)27-23(25-19(32)12-15-5-7-16(24)8-6-15)31-22(17)26-21(29-31)18-4-3-11-33-18/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,25,27,28,32) UCHRKGKTCKLHMV-UHFFFAOYSA-N 50298520 2-(4-fluorophenyl)-N-(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide::CHEMBL578005 Adenosine receptor A1 Homo sapiens 51.8 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298520&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482464 104140049 CHEMBL578005 ZINC45299566 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530633 Cn1cc2c(n1)nc(NC(=O)Cc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H14FN7O2/c1-26-10-13-16(24-26)23-19(21-15(28)9-11-4-6-12(20)7-5-11)27-18(13)22-17(25-27)14-3-2-8-29-14/h2-8,10H,9H2,1H3,(H,21,23,24,28) MFEDLIMXIUUSEO-UHFFFAOYSA-N 50298519 5-[(4-Fluorobenzyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL574483 Adenosine receptor A1 Homo sapiens 741 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298519&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482076 104140048 CHEMBL574483 ZINC45287104 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530634 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1c(Cl)cccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C23H21Cl2N7O2/c1-13(2)8-9-31-12-15-20(29-31)28-23(26-19(33)11-14-16(24)5-3-6-17(14)25)32-22(15)27-21(30-32)18-7-4-10-34-18/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,26,28,29,33) BUPUMUMUABAVNX-UHFFFAOYSA-N 50298518 5-[(2,6-Dichlorobenzyl)carbonyl]amino-8-isopentyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL573089 Adenosine receptor A1 Homo sapiens 121 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298518&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482081 104140047 CHEMBL573089 ZINC45284733 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530635 Cn1cc2c(n1)nc(NC(=O)Cc1c(Cl)cccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C19H13Cl2N7O2/c1-27-9-11-16(25-27)24-19(22-15(29)8-10-12(20)4-2-5-13(10)21)28-18(11)23-17(26-28)14-6-3-7-30-14/h2-7,9H,8H2,1H3,(H,22,24,25,29) AFSNHUCXKASIMR-UHFFFAOYSA-N 50298517 5-[(2,6-Dichlorobenzyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine(::CHEMBL574490 Adenosine receptor A1 Homo sapiens 908 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298517&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482087 104140046 CHEMBL574490 ZINC45287964 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530636 Fc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H22FN7O2/c28-20-12-10-19(11-13-20)16-23(36)29-27-31-24-21(26-30-25(33-35(26)27)22-9-5-15-37-22)17-34(32-24)14-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-13,15,17H,4,8,14,16H2,(H,29,31,32,36) TWQZDHMGTHQJOG-UHFFFAOYSA-N 50298516 5-[(4-Fluorobenzyl)carbonyl]amino-8-(3-phenylpropyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL574484 Adenosine receptor A1 Homo sapiens 726 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298516&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482077 104140045 CHEMBL574484 ZINC45287105 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530637 O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1 InChI=1S/C33H27N7O2/c41-32(28(24-15-6-2-7-16-24)25-17-8-3-9-18-25)36-33-35-29-26(31-34-30(38-40(31)33)27-19-11-21-42-27)22-39(37-29)20-10-14-23-12-4-1-5-13-23/h1-9,11-13,15-19,21-22,28H,10,14,20H2,(H,35,36,37,41) DQISRGLAFBOHSH-UHFFFAOYSA-N 50298515 5-[(Diphenylmethyl)carbonyl]amino-8-(3-phenylpropyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL575855 Adenosine receptor A1 Homo sapiens 307 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298515&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482078 104140044 CHEMBL575855 ZINC49708675 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530638 O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C31H25N7O2/c39-27(19-22-14-15-23-11-4-5-12-24(23)18-22)32-31-34-28-25(30-33-29(36-38(30)31)26-13-7-17-40-26)20-37(35-28)16-6-10-21-8-2-1-3-9-21/h1-5,7-9,11-15,17-18,20H,6,10,16,19H2,(H,32,34,35,39) AFUJBRCTPIZSNN-UHFFFAOYSA-N 50298514 5-[(beta-Naphthylmethyl)carbonyl]amino-8-(3-phenylpropyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL575605 Adenosine receptor A1 Homo sapiens 241 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298514&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482084 104140043 CHEMBL575605 ZINC49709056 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530639 O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C26H21N7O2/c34-22(16-19-10-5-2-6-11-19)27-26-29-23-20(17-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,29,30,34) NNKNPNUOGFMYAG-UHFFFAOYSA-N 50133363 CHEMBL541455::N-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide::N-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide Adenosine receptor A1 Homo sapiens 128 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133363&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10994216 104024194 CHEMBL541455 ZINC13527368 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530640 Clc1cccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C27H22ClN7O2/c28-20-11-4-9-19(15-20)16-23(36)29-27-31-24-21(26-30-25(33-35(26)27)22-12-6-14-37-22)17-34(32-24)13-5-10-18-7-2-1-3-8-18/h1-4,6-9,11-12,14-15,17H,5,10,13,16H2,(H,29,31,32,36) SYESLDXKRRTBBZ-UHFFFAOYSA-N 50298513 5-[(3-Chlorobenzyl)carbonyl]amino-8-(3-phenylpropyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL576017 Adenosine receptor A1 Homo sapiens 605 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298513&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482074 104140042 CHEMBL576017 ZINC45300536 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530641 Clc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H22ClN7O2/c28-20-12-10-19(11-13-20)16-23(36)29-27-31-24-21(26-30-25(33-35(26)27)22-9-5-15-37-22)17-34(32-24)14-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-13,15,17H,4,8,14,16H2,(H,29,31,32,36) MNELWFLAKYOMKX-UHFFFAOYSA-N 50298512 2-(4-chlorophenyl)-N-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide::CHEMBL573088 Adenosine receptor A1 Homo sapiens 256 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298512&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482079 104140041 CHEMBL573088 ZINC45284731 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530642 Clc1ccc(OCC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H22ClN7O3/c28-19-10-12-20(13-11-19)38-17-23(36)29-27-31-24-21(26-30-25(33-35(26)27)22-9-5-15-37-22)16-34(32-24)14-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-13,15-16H,4,8,14,17H2,(H,29,31,32,36) GJKDVRRUKCQKHE-UHFFFAOYSA-N 50298511 2-(4-chlorophenoxy)-N-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide::CHEMBL576153 Adenosine receptor A1 Homo sapiens 71.1 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298511&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482089 104140040 CHEMBL576153 ZINC49708360 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530643 Clc1cccc(Cl)c1CC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C27H21Cl2N7O2/c28-20-10-4-11-21(29)18(20)15-23(37)30-27-32-24-19(26-31-25(34-36(26)27)22-12-6-14-38-22)16-35(33-24)13-5-9-17-7-2-1-3-8-17/h1-4,6-8,10-12,14,16H,5,9,13,15H2,(H,30,32,33,37) SZEMNKQDKREGQR-UHFFFAOYSA-N 50298510 5-[(2,6-Dichlorobenzyl)carbonyl]amino-8-(2-phenylpropyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL578649 Adenosine receptor A1 Homo sapiens 786 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298510&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482091 104140039 CHEMBL578649 ZINC49710688 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530644 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C33H27N7O2/c41-29(21-24-15-17-26(18-16-24)25-12-5-2-6-13-25)34-33-36-30-27(32-35-31(38-40(32)33)28-14-8-20-42-28)22-39(37-30)19-7-11-23-9-3-1-4-10-23/h1-6,8-10,12-18,20,22H,7,11,19,21H2,(H,34,36,37,41) FPCTUKFYWXDOAK-UHFFFAOYSA-N 50298509 5-[(4-Biphenylmethyl)carbonyl]amino-8-(3-phenylpropyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL572602 Adenosine receptor A1 Homo sapiens 1170 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298509&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45482092 104140038 CHEMBL572602 ZINC49694648 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530675 CCCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C27H23N7O2/c1-2-14-33-17-21-24(31-33)30-27(34-26(21)29-25(32-34)22-9-6-15-36-22)28-23(35)16-18-10-12-20(13-11-18)19-7-4-3-5-8-19/h3-13,15,17H,2,14,16H2,1H3,(H,28,30,31,35) SDSLILQCWQPTPZ-UHFFFAOYSA-N 50298547 5-[(4-Biphenylmethyl)carbonyl]amino-8-n-propyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL573593 Adenosine receptor A1 Homo sapiens 622 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298547&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481762 104140076 CHEMBL573593 ZINC45261877 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530676 Cn1cc2c(n1)nc(NC(=O)Cc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H14ClN7O2/c1-26-10-13-16(24-26)23-19(21-15(28)9-11-4-6-12(20)7-5-11)27-18(13)22-17(25-27)14-3-2-8-29-14/h2-8,10H,9H2,1H3,(H,21,23,24,28) CGEFGGKNDMRHFV-UHFFFAOYSA-N 50298546 5-[(4-Chlorobenzyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL573594 Adenosine receptor A1 Homo sapiens 1850 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298546&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481763 104140075 CHEMBL573594 ZINC45261880 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530677 CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C26H21N7O2/c1-2-32-16-20-23(30-32)29-26(33-25(20)28-24(31-33)21-9-6-14-35-21)27-22(34)15-17-10-12-19(13-11-17)18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3,(H,27,29,30,34) JFIOINHSYJAPDF-UHFFFAOYSA-N 50298545 5-[(4-Biphenylmethyl)carbonyl]amino-8-ethyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL572654 Adenosine receptor A1 Homo sapiens 557 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298545&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481766 104140074 CHEMBL572654 ZINC45288637 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530678 COc1ccc(CC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C20H17N7O3/c1-26-11-14-17(24-26)23-20(21-16(28)10-12-5-7-13(29-2)8-6-12)27-19(14)22-18(25-27)15-4-3-9-30-15/h3-9,11H,10H2,1-2H3,(H,21,23,24,28) HYCRJTFZZLBVSV-UHFFFAOYSA-N 50298544 5-[(4-Methoxybenzyl)carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL576538 Adenosine receptor A1 Homo sapiens 133 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298544&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481767 104140073 CHEMBL576538 ZINC45291837 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530679 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C27H25N7O2/c1-17(2)11-12-33-16-21-24(31-33)30-27(34-26(21)29-25(32-34)22-8-5-13-36-22)28-23(35)15-18-9-10-19-6-3-4-7-20(19)14-18/h3-10,13-14,16-17H,11-12,15H2,1-2H3,(H,28,30,31,35) KLGDQUYPDOFJCW-UHFFFAOYSA-N 50298543 5-[(beta-Naphthylmethyl)carbonyl]amino-8-isopentyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL576567 Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298543&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481768 104140072 CHEMBL576567 ZINC45289653 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530680 O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C30H23N7O2/c38-26(18-21-12-13-22-9-4-5-10-23(22)17-21)31-30-33-27-24(19-36(34-27)15-14-20-7-2-1-3-8-20)29-32-28(35-37(29)30)25-11-6-16-39-25/h1-13,16-17,19H,14-15,18H2,(H,31,33,34,38) SIKRTOIHCJZUGH-UHFFFAOYSA-N 50298542 5-[(beta-Naphthylmethyl)carbonyl]amino-8-(2-phenylethyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL575205 Adenosine receptor A1 Homo sapiens 57.5 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298542&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481770 104140071 CHEMBL575205 ZINC45291598 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530681 O=C(Cc1cccs1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C24H19N7O2S/c32-20(14-17-8-5-13-34-17)25-24-27-21-18(15-30(28-21)11-10-16-6-2-1-3-7-16)23-26-22(29-31(23)24)19-9-4-12-33-19/h1-9,12-13,15H,10-11,14H2,(H,25,27,28,32) AZLDXOUTWIDEOW-UHFFFAOYSA-N 50298541 5-[(2-Thienylmethyl)carbonyl]amino-8-(2-phenylethyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL575197 Adenosine receptor A1 Homo sapiens 18.5 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298541&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481755 104140070 CHEMBL575197 ZINC45290726 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530682 O=C(Cc1ccsc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C24H19N7O2S/c32-20(13-17-9-12-34-15-17)25-24-27-21-18(14-30(28-21)10-8-16-5-2-1-3-6-16)23-26-22(29-31(23)24)19-7-4-11-33-19/h1-7,9,11-12,14-15H,8,10,13H2,(H,25,27,28,32) LRHLBUAJTSIOMS-UHFFFAOYSA-N 50298540 5-[(3-Thienylmethyl)carbonyl]amino-8-(2-phenyl ethyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL572419 Adenosine receptor A1 Homo sapiens 22.8 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298540&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481764 104140069 CHEMBL572419 ZINC45288600 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530683 CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 InChI=1S/C24H19N7O2/c1-2-30-14-18-21(28-30)27-24(31-23(18)26-22(29-31)19-11-6-12-33-19)25-20(32)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12,14H,2,13H2,1H3,(H,25,27,28,32) ZRFQRPBTRKJNBA-UHFFFAOYSA-N 50298539 5-[(alpha-Naphthylmethyl)carbonyl]amino-8-ethyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL572653 Adenosine receptor A1 Homo sapiens 596 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298539&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481765 104140068 CHEMBL572653 ZINC45288634 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50530684 CCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C24H19N7O2/c1-2-30-14-18-21(28-30)27-24(31-23(18)26-22(29-31)19-8-5-11-33-19)25-20(32)13-15-9-10-16-6-3-4-7-17(16)12-15/h3-12,14H,2,13H2,1H3,(H,25,27,28,32) DLVDVUCRGYJHFL-UHFFFAOYSA-N 50298538 5-[(beta-Naphthylmethyl)carbonyl]amino-8-ethyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL578008 Adenosine receptor A1 Homo sapiens 185 ChEMBL 10.1016/j.bmc.2009.05.038 10.7270/Q23N23FX 19501513 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Universit£ di Padova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50298538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50298538&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 45481749 104140067 CHEMBL578008 ZINC45299883 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50535811 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A1 Homo sapiens 180 ChEMBL 10.1021/jm900718w 10.7270/Q26T0MP5 19743865 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Poli, D; Filacchioni, G; Varani, K; Vincenzi, F; Borea, PA; Paoletta, S; Morizzo, E; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575784 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)ncnc12 InChI=1S/C29H33N7O8/c1-30-28(40)24-21(37)22(38)29(44-24)36-14-35-20-25(33-13-34-26(20)36)31-11-15-5-7-16(8-6-15)12-32-27(39)17-9-18(41-2)23(43-4)19(10-17)42-3/h5-10,13-14,21-22,24,29,37-38H,11-12H2,1-4H3,(H,30,40)(H,32,39)(H,31,33,34)/t21-,22+,24-,29+/m0/s1 GOASSFPKZZNPIH-UKNKTOQLSA-N 50317892 CHEMBL1095000::N6-[4-[2-[3,4,5-Trimethoxybenzamido]ethyl]benzyl]adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 76.8 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317892&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46887672 104152253 CHEMBL1095000 ZINC49777908 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575785 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(NC(=O)CCC(=O)NCCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 InChI=1S/C38H50N8O7/c1-37(2,3)24-16-22(17-25(29(24)49)38(4,5)6)14-15-40-26(47)12-13-27(48)45-23-10-8-21(9-11-23)18-41-33-28-34(43-19-42-33)46(20-44-28)36-31(51)30(50)32(53-36)35(52)39-7/h8-11,16-17,19-20,30-32,36,49-51H,12-15,18H2,1-7H3,(H,39,52)(H,40,47)(H,45,48)(H,41,42,43)/t30-,31+,32-,36+/m0/s1 VXXNUWWLPWLLIW-BSYZOHBLSA-N 50317893 CHEMBL1095001::N6-[4-(4-(3,5-Di-tert-butyl-4-hydroxyphenethylamino)-4-oxobutanamido)benzyl]adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 42.1 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317893&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46887673 104152254 CHEMBL1095001 ZINC49784493 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571180 Nc1sc2CN(CCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C37H41Cl2N7O6S/c38-25-11-6-21(16-26(25)39)31(48)29-24-12-14-45(17-28(24)53-34(29)40)13-4-2-1-3-5-15-51-23-9-7-22(8-10-23)44-35-30-36(42-19-41-35)46(20-43-30)37-33(50)32(49)27(18-47)52-37/h6-11,16,19-20,27,32-33,37,47,49-50H,1-5,12-15,17-18,40H2,(H,41,42,44)/t27-,32-,33-,37-/m1/s1 UAVBFUVYYFZMQC-YSEFVLSOSA-N 50315853 6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-7-heptyloxy-4-phenyl]-adenosine::CHEMBL1090685 Adenosine receptor A1 Homo sapiens 450 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315853&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203499 104150214 CHEMBL1090685 ZINC95538400 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571181 Nc1sc2CN(CCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C38H43Cl2N7O6S/c39-26-12-7-22(17-27(26)40)32(49)30-25-13-15-46(18-29(25)54-35(30)41)14-5-3-1-2-4-6-16-52-24-10-8-23(9-11-24)45-36-31-37(43-20-42-36)47(21-44-31)38-34(51)33(50)28(19-48)53-38/h7-12,17,20-21,28,33-34,38,48,50-51H,1-6,13-16,18-19,41H2,(H,42,43,45)/t28-,33-,34-,38-/m1/s1 PIXHQGLHFSYQEU-JSKSTBSASA-N 50315854 CHEMBL1090686::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-8-octyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 776 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315854&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203500 104150215 CHEMBL1090686 ZINC95538376 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571182 Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1 DERHYILBHUKLGL-VMPBLTEISA-N 50315855 CHEMBL1090687::LUF-6258::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-9-nonyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 661 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315855&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203501 104150216 CHEMBL1090687 ZINC95538448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571183 Nc1sc2CN(CCCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C40H47Cl2N7O6S/c41-28-14-9-24(19-29(28)42)34(51)32-27-15-17-48(20-31(27)56-37(32)43)16-7-5-3-1-2-4-6-8-18-54-26-12-10-25(11-13-26)47-38-33-39(45-22-44-38)49(23-46-33)40-36(53)35(52)30(21-50)55-40/h9-14,19,22-23,30,35-36,40,50,52-53H,1-8,15-18,20-21,43H2,(H,44,45,47)/t30-,35-,36-,40-/m1/s1 PUUSAKGGLAKPAJ-HXBCBVSGSA-N 50315856 CHEMBL1090688::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-10-decyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 1259 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315856&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203822 104150217 CHEMBL1090688 ZINC95538474 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571184 COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 DHSVZMSVSTXYCS-LSCFUAHRSA-N 50315857 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL1093910 Adenosine receptor A1 Homo sapiens 832 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315857&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46886345 104150218 CHEMBL1093910 ZINC12405293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571185 Nc1sc2CN(CCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C32H31Cl2N7O6S/c33-20-6-1-16(11-21(20)34)26(43)24-19-7-8-40(12-23(19)48-29(24)35)9-10-46-18-4-2-17(3-5-18)39-30-25-31(37-14-36-30)41(15-38-25)32-28(45)27(44)22(13-42)47-32/h1-6,11,14-15,22,27-28,32,42,44-45H,7-10,12-13,35H2,(H,36,37,39)/t22-,27-,28-,32-/m1/s1 CIPCNPPPPJDNSG-STLKKDIWSA-N 50315858 CHEMBL1090680::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-2-ethyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 469 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315858&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46202865 104150219 CHEMBL1090680 ZINC49793896 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571186 Nc1sc2CN(CCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C33H33Cl2N7O6S/c34-21-7-2-17(12-22(21)35)27(44)25-20-8-10-41(13-24(20)49-30(25)36)9-1-11-47-19-5-3-18(4-6-19)40-31-26-32(38-15-37-31)42(16-39-26)33-29(46)28(45)23(14-43)48-33/h2-7,12,15-16,23,28-29,33,43,45-46H,1,8-11,13-14,36H2,(H,37,38,40)/t23-,28-,29-,33-/m1/s1 JEHICHZDFNRTSM-IQYFRZATSA-N 50315859 CHEMBL1090681::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-3-propyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 268 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315859&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203191 104150220 CHEMBL1090681 ZINC49780839 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571187 Nc1sc2CN(CCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C34H35Cl2N7O6S/c35-22-8-3-18(13-23(22)36)28(45)26-21-9-11-42(14-25(21)50-31(26)37)10-1-2-12-48-20-6-4-19(5-7-20)41-32-27-33(39-16-38-32)43(17-40-27)34-30(47)29(46)24(15-44)49-34/h3-8,13,16-17,24,29-30,34,44,46-47H,1-2,9-12,14-15,37H2,(H,38,39,41)/t24-,29-,30-,34-/m1/s1 VNXNMTAXXNHEMK-OJSJAECBSA-N 50315860 CHEMBL1090682::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-4-butyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 313 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315860&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203192 104150221 CHEMBL1090682 ZINC95538481 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571188 Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1 FDJJARVXDSULJD-GABJWQMDSA-N 50315861 CHEMBL1090683::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-5-pentyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 114 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315861&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203193 104150222 CHEMBL1090683 ZINC95538437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571189 Nc1sc2CN(CCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C36H39Cl2N7O6S/c37-24-10-5-20(15-25(24)38)30(47)28-23-11-13-44(16-27(23)52-33(28)39)12-3-1-2-4-14-50-22-8-6-21(7-9-22)43-34-29-35(41-18-40-34)45(19-42-29)36-32(49)31(48)26(17-46)51-36/h5-10,15,18-19,26,31-32,36,46,48-49H,1-4,11-14,16-17,39H2,(H,40,41,43)/t26-,31-,32-,36-/m1/s1 WRVGHUJUOPRDLV-UETQYXGNSA-N 50315862 CHEMBL1090684::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-6-hexyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 288 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315862&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203194 104150223 CHEMBL1090684 ZINC95538491 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571190 Nc1sc2CN(CCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C37H41Cl2N7O6S/c38-25-11-6-21(16-26(25)39)31(48)29-24-12-14-45(17-28(24)53-34(29)40)13-4-2-1-3-5-15-51-23-9-7-22(8-10-23)44-35-30-36(42-19-41-35)46(20-43-30)37-33(50)32(49)27(18-47)52-37/h6-11,16,19-20,27,32-33,37,47,49-50H,1-5,12-15,17-18,40H2,(H,41,42,44)/t27-,32-,33-,37-/m1/s1 UAVBFUVYYFZMQC-YSEFVLSOSA-N 50315853 6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-7-heptyloxy-4-phenyl]-adenosine::CHEMBL1090685 Adenosine receptor A1 Homo sapiens 347 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315853&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203499 104150214 CHEMBL1090685 ZINC95538400 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571191 Nc1sc2CN(CCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C38H43Cl2N7O6S/c39-26-12-7-22(17-27(26)40)32(49)30-25-13-15-46(18-29(25)54-35(30)41)14-5-3-1-2-4-6-16-52-24-10-8-23(9-11-24)45-36-31-37(43-20-42-36)47(21-44-31)38-34(51)33(50)28(19-48)53-38/h7-12,17,20-21,28,33-34,38,48,50-51H,1-6,13-16,18-19,41H2,(H,42,43,45)/t28-,33-,34-,38-/m1/s1 PIXHQGLHFSYQEU-JSKSTBSASA-N 50315854 CHEMBL1090686::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-8-octyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 457 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315854&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203500 104150215 CHEMBL1090686 ZINC95538376 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571192 Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1 DERHYILBHUKLGL-VMPBLTEISA-N 50315855 CHEMBL1090687::LUF-6258::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-9-nonyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 651 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315855&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203501 104150216 CHEMBL1090687 ZINC95538448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571193 Nc1sc2CN(CCCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C40H47Cl2N7O6S/c41-28-14-9-24(19-29(28)42)34(51)32-27-15-17-48(20-31(27)56-37(32)43)16-7-5-3-1-2-4-6-8-18-54-26-12-10-25(11-13-26)47-38-33-39(45-22-44-38)49(23-46-33)40-36(53)35(52)30(21-50)55-40/h9-14,19,22-23,30,35-36,40,50,52-53H,1-8,15-18,20-21,43H2,(H,44,45,47)/t30-,35-,36-,40-/m1/s1 PUUSAKGGLAKPAJ-HXBCBVSGSA-N 50315856 CHEMBL1090688::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-10-decyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 1360 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315856&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203822 104150217 CHEMBL1090688 ZINC95538474 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571194 COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 DHSVZMSVSTXYCS-LSCFUAHRSA-N 50315857 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL1093910 Adenosine receptor A1 Homo sapiens 195 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315857&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46886345 104150218 CHEMBL1093910 ZINC12405293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571195 Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1 FDJJARVXDSULJD-GABJWQMDSA-N 50315861 CHEMBL1090683::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-5-pentyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 273 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315861&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203193 104150222 CHEMBL1090683 ZINC95538437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571196 Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1 DERHYILBHUKLGL-VMPBLTEISA-N 50315855 CHEMBL1090687::LUF-6258::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-9-nonyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 390 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315855&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203501 104150216 CHEMBL1090687 ZINC95538448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571197 COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 DHSVZMSVSTXYCS-LSCFUAHRSA-N 50315857 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL1093910 Adenosine receptor A1 Homo sapiens 123 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315857&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46886345 104150218 CHEMBL1093910 ZINC12405293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571198 Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1 FDJJARVXDSULJD-GABJWQMDSA-N 50315861 CHEMBL1090683::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-5-pentyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 52 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315861&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203193 104150222 CHEMBL1090683 ZINC95538437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571199 Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1 DERHYILBHUKLGL-VMPBLTEISA-N 50315855 CHEMBL1090687::LUF-6258::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-9-nonyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 181 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315855&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203501 104150216 CHEMBL1090687 ZINC95538448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571200 COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 DHSVZMSVSTXYCS-LSCFUAHRSA-N 50315857 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL1093910 Adenosine receptor A1 Homo sapiens 29 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315857&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46886345 104150218 CHEMBL1093910 ZINC12405293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571201 Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1 FDJJARVXDSULJD-GABJWQMDSA-N 50315861 CHEMBL1090683::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-5-pentyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 156 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315861&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203193 104150222 CHEMBL1090683 ZINC95538437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571202 Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1 DERHYILBHUKLGL-VMPBLTEISA-N 50315855 CHEMBL1090687::LUF-6258::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-9-nonyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 955 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315855&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203501 104150216 CHEMBL1090687 ZINC95538448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571203 COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 DHSVZMSVSTXYCS-LSCFUAHRSA-N 50315857 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL1093910 Adenosine receptor A1 Homo sapiens 22 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315857&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46886345 104150218 CHEMBL1093910 ZINC12405293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571204 Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1 FDJJARVXDSULJD-GABJWQMDSA-N 50315861 CHEMBL1090683::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-5-pentyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 89 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315861&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203193 104150222 CHEMBL1090683 ZINC95538437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571205 Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1 DERHYILBHUKLGL-VMPBLTEISA-N 50315855 CHEMBL1090687::LUF-6258::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-9-nonyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 691 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315855&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203501 104150216 CHEMBL1090687 ZINC95538448 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571206 COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 DHSVZMSVSTXYCS-LSCFUAHRSA-N 50315857 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL1093910 Adenosine receptor A1 Homo sapiens 5 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315857&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46886345 104150218 CHEMBL1093910 ZINC12405293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571207 COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 DHSVZMSVSTXYCS-LSCFUAHRSA-N 50315857 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL1093910 Adenosine receptor A1 Homo sapiens 43 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315857&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46886345 104150218 CHEMBL1093910 ZINC12405293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571208 COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 DHSVZMSVSTXYCS-LSCFUAHRSA-N 50315857 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL1093910 Adenosine receptor A1 Homo sapiens 1862 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315857&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46886345 104150218 CHEMBL1093910 ZINC12405293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571209 Nc1sc2CN(CCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C36H39Cl2N7O6S/c37-24-10-5-20(15-25(24)38)30(47)28-23-11-13-44(16-27(23)52-33(28)39)12-3-1-2-4-14-50-22-8-6-21(7-9-22)43-34-29-35(41-18-40-34)45(19-42-29)36-32(49)31(48)26(17-46)51-36/h5-10,15,18-19,26,31-32,36,46,48-49H,1-4,11-14,16-17,39H2,(H,40,41,43)/t26-,31-,32-,36-/m1/s1 WRVGHUJUOPRDLV-UETQYXGNSA-N 50315862 CHEMBL1090684::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-6-hexyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 419 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315862&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203194 104150223 CHEMBL1090684 ZINC95538491 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571210 Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1 FDJJARVXDSULJD-GABJWQMDSA-N 50315861 CHEMBL1090683::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-5-pentyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 214 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315861&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203193 104150222 CHEMBL1090683 ZINC95538437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571211 Nc1sc2CN(CCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C34H35Cl2N7O6S/c35-22-8-3-18(13-23(22)36)28(45)26-21-9-11-42(14-25(21)50-31(26)37)10-1-2-12-48-20-6-4-19(5-7-20)41-32-27-33(39-16-38-32)43(17-40-27)34-30(47)29(46)24(15-44)49-34/h3-8,13,16-17,24,29-30,34,44,46-47H,1-2,9-12,14-15,37H2,(H,38,39,41)/t24-,29-,30-,34-/m1/s1 VNXNMTAXXNHEMK-OJSJAECBSA-N 50315860 CHEMBL1090682::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-4-butyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 618 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315860&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203192 104150221 CHEMBL1090682 ZINC95538481 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571212 Nc1sc2CN(CCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C33H33Cl2N7O6S/c34-21-7-2-17(12-22(21)35)27(44)25-20-8-10-41(13-24(20)49-30(25)36)9-1-11-47-19-5-3-18(4-6-19)40-31-26-32(38-15-37-31)42(16-39-26)33-29(46)28(45)23(14-43)48-33/h2-7,12,15-16,23,28-29,33,43,45-46H,1,8-11,13-14,36H2,(H,37,38,40)/t23-,28-,29-,33-/m1/s1 JEHICHZDFNRTSM-IQYFRZATSA-N 50315859 CHEMBL1090681::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-3-propyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 417 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315859&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46203191 104150220 CHEMBL1090681 ZINC49780839 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571213 Nc1sc2CN(CCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C32H31Cl2N7O6S/c33-20-6-1-16(11-21(20)34)26(43)24-19-7-8-40(12-23(19)48-29(24)35)9-10-46-18-4-2-17(3-5-18)39-30-25-31(37-14-36-30)41(15-38-25)32-28(45)27(44)22(13-42)47-32/h1-6,11,14-15,22,27-28,32,42,44-45H,7-10,12-13,35H2,(H,36,37,39)/t22-,27-,28-,32-/m1/s1 CIPCNPPPPJDNSG-STLKKDIWSA-N 50315858 CHEMBL1090680::N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-2-ethyloxy-4-phenyl]-adenosine Adenosine receptor A1 Homo sapiens 741 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315858&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46202865 104150219 CHEMBL1090680 ZINC49793896 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571214 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3 KKDKAWKYGCUOGR-UHFFFAOYSA-N 50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723 Adenosine receptor A1 Homo sapiens 1738 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122028 103980705 CHEMBL59532 ZINC02379515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571215 Nc1sc2CN(CCCCCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C25H25Cl2N3O4S/c26-20-9-4-16(14-21(20)27)24(31)23-19-10-12-29(15-22(19)35-25(23)28)11-2-1-3-13-34-18-7-5-17(6-8-18)30(32)33/h4-9,14H,1-3,10-13,15,28H2 YXRBOKWYDKWBAU-UHFFFAOYSA-N 50315863 2-Amino-6-[5-(4-nitrophenoxy)-pentyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl-(3,4-dichlorophenyl)-methanone::CHEMBL1093814 Adenosine receptor A1 Homo sapiens 5200 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315863&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46204482 104150224 CHEMBL1093814 ZINC49784485 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571216 Nc1sc2CN(CCCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C23H21Cl2N3O4S/c24-18-7-2-14(12-19(18)25)22(29)21-17-8-10-27(13-20(17)33-23(21)26)9-1-11-32-16-5-3-15(4-6-16)28(30)31/h2-7,12H,1,8-11,13,26H2 MUMHULYEMXDVHD-UHFFFAOYSA-N 50315864 2-Amino-6-[3-(4-nitrophenoxy)-propyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl-(3,4-dichlorophenyl)-methanone::CHEMBL1093487 Adenosine receptor A1 Homo sapiens 3700 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315864&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46204158 104150225 CHEMBL1093487 ZINC49073456 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50571217 Nc1sc2CN(CCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C22H19Cl2N3O4S/c23-17-6-1-13(11-18(17)24)21(28)20-16-7-8-26(12-19(16)32-22(20)25)9-10-31-15-4-2-14(3-5-15)27(29)30/h1-6,11H,7-10,12,25H2 UGHAASOWTMWNED-UHFFFAOYSA-N 50315865 2-Amino-6-[2-(4-nitrophenoxy)-ethyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl-(3,4-dichlorophenyl)-methanone::CHEMBL1094907 Adenosine receptor A1 Homo sapiens 8500 ChEMBL 10.1021/jm901252a 10.7270/Q20K28RD 20345101 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315865&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46204157 104150226 CHEMBL1094907 ZINC49068734 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564154 N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23) YRPIMMMBNUUYLG-UHFFFAOYSA-N 50211685 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine::4'-(furan-2-yl)-N-(pyridin-3-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL375293 Adenosine receptor A1 Homo sapiens 2821 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211685&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11716665 104087803 CHEMBL375293 5617 ZINC13981593 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564155 CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1 InChI=1S/C16H13N3O2/c1-11(20)18-15-5-4-13(12-6-8-17-9-7-12)16(19-15)14-3-2-10-21-14/h2-10H,1H3,(H,18,19,20) STFZQXRQDWXSGW-UHFFFAOYSA-N 50312964 CHEMBL1081811::N-(2-(furan-2-yl)-3,4'-bipyridin-6-yl)acetamide Adenosine receptor A1 Homo sapiens 358 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312964&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880333 104147325 CHEMBL1081811 ZINC49047041 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564156 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccco1)C1CC1 InChI=1S/C18H15N3O2/c22-18(13-3-4-13)21-16-6-5-14(12-7-9-19-10-8-12)17(20-16)15-2-1-11-23-15/h1-2,5-11,13H,3-4H2,(H,20,21,22) YMPAJVHRFFHIEA-UHFFFAOYSA-N 50312965 CHEMBL1081812::N-(2-(furan-2-yl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 82 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312965&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46866591 104147326 CHEMBL1081812 ZINC49047658 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564157 O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22) QLBNYHQORUEQJE-UHFFFAOYSA-N 50312966 CHEMBL1081971::N-(6-(furan-2-yl)-5-(pyrimidin-4-yl)pyridin-2-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 931 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312966&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46866592 104147327 CHEMBL1081971 ZINC49036993 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564158 Brc1ccc(NC(=O)C2CC2)nc1-c1ccco1 InChI=1S/C13H11BrN2O2/c14-9-5-6-11(16-13(17)8-3-4-8)15-12(9)10-2-1-7-18-10/h1-2,5-8H,3-4H2,(H,15,16,17) VBLOVSRAUWMBNG-UHFFFAOYSA-N 50312946 CHEMBL1076562::N-(5-bromo-6-(furan-2-yl)pyridin-2-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 285 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312946&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880372 104147307 CHEMBL1076562 ZINC49054855 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564159 O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1 InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,16,17,18) RWRIELQWXMXMNH-UHFFFAOYSA-N 50312947 CHEMBL1079801::N-(5-cyano-6-(furan-2-yl)pyridin-2-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 289 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312947&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880373 104147308 CHEMBL1079801 ZINC49021675 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564160 Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1 InChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23) NAEQLYJGLPELMV-UHFFFAOYSA-N 50312949 CHEMBL1079803::N-(3'-chloro-2-(furan-2-yl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312949&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880375 104147310 CHEMBL1079803 ZINC49785643 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564161 Fc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1 InChI=1S/C18H14FN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23) MZFJZVHTYGETAH-UHFFFAOYSA-N 50312950 CHEMBL1079804::N-(3'-fluoro-2-(furan-2-yl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 374 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312950&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46866593 104147311 CHEMBL1079804 ZINC49031597 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564162 Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 InChI=1S/C19H17N3O2/c1-12-2-6-16(24-12)18-15(13-8-10-20-11-9-13)5-7-17(21-18)22-19(23)14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,21,22,23) RVEDTGRGNVIZKZ-UHFFFAOYSA-N 50312951 CHEMBL1082005::N-(2-(5-methylfuran-2-yl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312951&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880419 104147312 CHEMBL1082005 ZINC49034539 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564163 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1nccs1)C1CC1 InChI=1S/C17H14N4OS/c22-16(12-1-2-12)21-14-4-3-13(11-5-7-18-8-6-11)15(20-14)17-19-9-10-23-17/h3-10,12H,1-2H2,(H,20,21,22) FJWNSNLNBIUZDY-UHFFFAOYSA-N 50312952 CHEMBL1082006::N-(2-(thiazol-2-yl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 914 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312952&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880420 104147313 CHEMBL1082006 ZINC49034541 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564164 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1 InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22) RBIFOILYUCIGQJ-UHFFFAOYSA-N 50312953 CHEMBL1082171::N-(2-(thiazol-5-yl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 320 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312953&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880421 104147314 CHEMBL1082171 ZINC49045415 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564165 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ncco1)C1CC1 InChI=1S/C17H14N4O2/c22-16(12-1-2-12)21-14-4-3-13(11-5-7-18-8-6-11)15(20-14)17-19-9-10-23-17/h3-10,12H,1-2H2,(H,20,21,22) PFPDRUASIFTMIX-UHFFFAOYSA-N 50312954 CHEMBL1080500::N-(2-(oxazol-2-yl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 702 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312954&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880422 104147315 CHEMBL1080500 ZINC49032980 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564166 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cnco1)C1CC1 InChI=1S/C17H14N4O2/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22) FKVPNOVTCOJFFH-UHFFFAOYSA-N 50312955 CHEMBL1080676::N-(2-(oxazol-5-yl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 635 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312955&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880470 104147316 CHEMBL1080676 ZINC49032619 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564167 Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 InChI=1S/C20H16FN3O/c21-17-4-2-1-3-16(17)19-15(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)14-5-6-14/h1-4,7-12,14H,5-6H2,(H,23,24,25) QUVRBMYDRIIHLI-UHFFFAOYSA-N 50312958 CHEMBL1082028::N-(2-(2-fluorophenyl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 123 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312958&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880474 104147319 CHEMBL1082028 ZINC49090029 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564168 Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25) XTKWYENKGIRGAI-UHFFFAOYSA-N 50312959 CHEMBL1076587::N-(2-(3-fluorophenyl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312959&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880475 104147320 CHEMBL1076587 ZINC49050336 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556118 Cc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 InChI=1S/C23H28N8O3/c1-13-9-26-31(10-13)17-8-16(19(33)20(17)34)30-12-25-18-21(24)28-23(29-22(18)30)27-15(11-32)7-14-5-3-2-4-6-14/h2-6,9-10,12,15-17,19-20,32-34H,7-8,11H2,1H3,(H3,24,27,28,29)/t15-,16+,17-,19-,20+/m0/s1 LKBHTUWEPYNFEX-SQIBXOBRSA-N 50309473 (2R,3R,4S,5S)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(4-methyl-1H-pyrazol-1-yl)tetrahydrofuran-3,4-diol::CHEMBL592246 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309473&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46230151 104163834 CHEMBL592246 ZINC45339293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556122 CCc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 InChI=1S/C24H30N8O3/c1-2-14-10-27-32(11-14)18-9-17(20(34)21(18)35)31-13-26-19-22(25)29-24(30-23(19)31)28-16(12-33)8-15-6-4-3-5-7-15/h3-7,10-11,13,16-18,20-21,33-35H,2,8-9,12H2,1H3,(H3,25,28,29,30)/t16-,17+,18-,20-,21+/m0/s1 AWTFOQMQANRSHW-WRJHFWDFSA-N 50309474 (2R,3R,4S,5S)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(4-ethyl-1H-pyrazol-1-yl)tetrahydrofuran-3,4-diol::CHEMBL599387 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309474&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11662965 104163835 CHEMBL599387 ZINC38211439 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556129 CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12 InChI=1S/C32H37N9O3/c1-2-26(42)38-24-15-25(29(44)28(24)43)41-19-37-27-30(39-32(40-31(27)41)34-14-13-22-16-33-18-36-22)35-17-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,16,18-19,23-25,28-29,43-44H,2,13-15,17H2,1H3,(H,33,36)(H,38,42)(H2,34,35,39,40)/t24-,25+,28+,29-/m0/s1 XEBIBTRFVZVYQI-QEJHQWKJSA-N 50309478 CHEMBL601514::N-((2S,3S,4R,5R)-5-(2-(2-(1H-imidazol-4-yl)ethylamino)-6-(2,2-diphenylethylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)propionamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309478&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46230238 104163839 CHEMBL601514 ZINC49762702 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556134 CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(C)cn3)nc12 InChI=1S/C33H39N9O3/c1-3-27(43)38-25-16-26(30(45)29(25)44)42-20-37-28-31(39-33(40-32(28)42)34-15-14-23-18-41(2)19-36-23)35-17-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-20,24-26,29-30,44-45H,3,14-17H2,1-2H3,(H,38,43)(H2,34,35,39,40)/t25-,26+,29+,30-/m0/s1 CEIXOLCMCOWYMV-MDULWEFBSA-N 50309479 CHEMBL591423::N-((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-(2-(1-methyl-1H-imidazol-4-yl)ethylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)propionamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309479&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46230237 104163840 CHEMBL591423 ZINC49746981 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556141 CCC(CC)Nc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@H](NC(=O)CC)[C@@H](O)[C@H]1O InChI=1S/C25H39N9O3/c1-5-15(6-2)29-23-20-24(32-25(31-23)26-10-9-16-12-33(8-4)13-27-16)34(14-28-20)18-11-17(21(36)22(18)37)30-19(35)7-3/h12-15,17-18,21-22,36-37H,5-11H2,1-4H3,(H,30,35)(H2,26,29,31,32)/t17-,18+,21+,22-/m0/s1 BHLNXDOZTJNVFB-KKXYHZGYSA-N 50309481 CHEMBL592541::N-((2S,3S,4R,5R)-5-(2-(2-(1-ethyl-1H-imidazol-4-yl)ethylamino)-6-(pentan-3-ylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)propionamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309481&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11533614 104163842 CHEMBL592541 ZINC49756783 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564169 CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1 InChI=1S/C18H14FN3O/c1-12(23)21-17-6-5-16(13-7-9-20-10-8-13)18(22-17)14-3-2-4-15(19)11-14/h2-11H,1H3,(H,21,22,23) NTDOSIOCCLEQMK-UHFFFAOYSA-N 50312960 CHEMBL1082208::N-(2-(3-fluorophenyl)-3,4'-bipyridin-6-yl)acetamide Adenosine receptor A1 Homo sapiens 58 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312960&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880506 104147321 CHEMBL1082208 ZINC49035771 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564170 Fc1ccc(cc1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 InChI=1S/C20H16FN3O/c21-16-5-3-14(4-6-16)19-17(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)15-1-2-15/h3-12,15H,1-2H2,(H,23,24,25) WNNJUBCDKKEQRA-UHFFFAOYSA-N 50312961 CHEMBL1081038::N-(2-(4-fluorophenyl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 35 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312961&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880507 104147322 CHEMBL1081038 ZINC49033893 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564171 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1 InChI=1S/C19H16N4O/c24-19(14-4-5-14)23-17-7-6-15(13-8-11-20-12-9-13)18(22-17)16-3-1-2-10-21-16/h1-3,6-12,14H,4-5H2,(H,22,23,24) OHTMLKHQLZWGCY-UHFFFAOYSA-N 50312970 CHEMBL1081039::Cyclopropanecarboxylic acid [2,2',3',4'']terpyridin-6'-ylamide Adenosine receptor A1 Homo sapiens 940 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312970&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880508 104147331 CHEMBL1081039 ZINC49089963 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564172 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1 InChI=1S/C19H16N4O/c24-19(15-1-2-15)23-17-4-3-16(13-5-9-20-10-6-13)18(22-17)14-7-11-21-12-8-14/h3-12,15H,1-2H2,(H,22,23,24) YDGZTEVHLPBBGZ-UHFFFAOYSA-N 50312972 CHEMBL1081041::Cyclopropanecarboxylic acid [4,2'3',4'']terpyridin-6'-ylamide Adenosine receptor A1 Homo sapiens 338 ChEMBL 10.1016/j.bmcl.2010.01.045 10.7270/Q2QV3MNV 20137946 Eastwood, P; Gonzalez, J; Paredes, S; Nueda, A; Domenech, T; Alberti, J; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312972&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880510 104147333 CHEMBL1081041 ZINC49034015 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556146 CCC(CC)Nc1nc(NCCc2cn(cn2)C(C)C)nc2n(cnc12)[C@@H]1C[C@H](NC(=O)CC)[C@@H](O)[C@H]1O InChI=1S/C26H41N9O3/c1-6-16(7-2)30-24-21-25(33-26(32-24)27-10-9-17-12-34(13-28-17)15(4)5)35(14-29-21)19-11-18(22(37)23(19)38)31-20(36)8-3/h12-16,18-19,22-23,37-38H,6-11H2,1-5H3,(H,31,36)(H2,27,30,32,33)/t18-,19+,22+,23-/m0/s1 UFOFIXPTTUABPS-CSGUBPAMSA-N 50309482 CHEMBL592540::N-((2S,3S,4R,5R)-3,4-dihydroxy-5-(2-(2-(1-isopropyl-1H-imidazol-4-yl)ethylamino)-6-(pentan-3-ylamino)-9H-purin-9-yl)tetrahydrofuran-2-yl)propionamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309482&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11699353 104163843 CHEMBL592540 ZINC49756780 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556156 CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CC5)[C@@H](O)[C@H]4O)c3n2)c1 InChI=1S/C36H43N9O3/c1-22(2)44-19-26(39-20-44)15-16-37-36-42-33(38-18-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24)30-34(43-36)45(21-40-30)29-17-28(31(46)32(29)47)41-35(48)25-13-14-25/h3-12,19-22,25,27-29,31-32,46-47H,13-18H2,1-2H3,(H,41,48)(H2,37,38,42,43)/t28-,29+,31+,32-/m0/s1 PHSGUWPJLURZKC-XPZSDMQCSA-N 50309486 CHEMBL589348::N-((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-(2-(1-isopropyl-1H-imidazol-4-yl)ethylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309486&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46230239 104163847 CHEMBL589348 ZINC49746648 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556167 CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CC)cn1 InChI=1S/C28H42N10O2/c1-5-18(6-2)12-30-26-23-27(35-28(34-26)29-10-9-20-15-36(8-4)16-31-20)37(17-32-23)21-11-22(25(40)24(21)39)38-14-19(7-3)13-33-38/h13-18,21-22,24-25,39-40H,5-12H2,1-4H3,(H2,29,30,34,35)/t21-,22+,24+,25-/m1/s1 AYBJHLYAHKWZEU-BPJRBCGYSA-N 50309493 (2R,3R,4S,5S)-2-(2-(2-(1-ethyl-1H-imidazol-4-yl)ethylamino)-6-(2-ethylbutylamino)-9H-purin-9-yl)-5-(4-ethyl-1H-pyrazol-1-yl)tetrahydrofuran-3,4-diol::CHEMBL596904 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309493&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46230246 104163854 CHEMBL596904 ZINC49761774 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556171 CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CO)cn1 InChI=1S/C27H40N10O3/c1-4-17(5-2)10-29-25-22-26(34-27(33-25)28-8-7-19-13-35(6-3)15-30-19)36(16-31-22)20-9-21(24(40)23(20)39)37-12-18(14-38)11-32-37/h11-13,15-17,20-21,23-24,38-40H,4-10,14H2,1-3H3,(H2,28,29,33,34)/t20-,21+,23+,24-/m1/s1 NCSZDLWKVPXZCB-AWAHEQQVSA-N 50309494 (1R,2S,3R,5S)-3-(2-(2-(1-ethyl-1H-imidazol-4-yl)ethylamino)-6-(2-ethylbutylamino)-9H-purin-9-yl)-5-(4-(hydroxymethyl)-1H-pyrazol-1-yl)cyclopentane-1,2-diol::CHEMBL604591 Adenosine receptor A1 Homo sapiens 4100 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309494&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46230290 104163855 CHEMBL604591 ZINC49767442 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556182 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556187 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556192 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 FLBKPDIBGNWXMT-NIQZGXKPSA-N 50150766 (2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-[6-Amino-2-((S)-1-hydroxymethyl-2-phenyl-ethylamino)-purin-9-yl]-5-(2-ethyl-2H-tetrazol-5-yl)-tetrahydro-furan-3,4-diol::CHEMBL186113::GW-328267 Adenosine receptor A1 Homo sapiens 882 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50150766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50150766&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9869857 104039125 CHEMBL186113 ZINC03951024 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556196 CCCCC#Cc1nc(N)c2ncn([C@@H]3C[C@H](NC(=O)CC)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C19H26N6O3/c1-3-5-6-7-8-13-23-18(20)15-19(24-13)25(10-21-15)12-9-11(16(27)17(12)28)22-14(26)4-2/h10-12,16-17,27-28H,3-6,9H2,1-2H3,(H,22,26)(H2,20,23,24)/t11-,12+,16+,17-/m0/s1 MOWBUOOHZBNNQZ-SONRMIBWSA-N 50309496 CHEMBL591999::N-((1S,2R,3S,4R)-4-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-2,3-dihydroxycyclopentyl)propionamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309496&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11574573 104163857 CHEMBL591999 ZINC35847317 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50556199 CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CCC5)[C@@H](O)[C@H]4O)c3n2)c1 InChI=1S/C37H45N9O3/c1-23(2)45-20-27(40-21-45)16-17-38-37-43-34(39-19-28(24-10-5-3-6-11-24)25-12-7-4-8-13-25)31-35(44-37)46(22-41-31)30-18-29(32(47)33(30)48)42-36(49)26-14-9-15-26/h3-8,10-13,20-23,26,28-30,32-33,47-48H,9,14-19H2,1-2H3,(H,42,49)(H2,38,39,43,44)/t29-,30+,32+,33-/m0/s1 CBCHGIXGPCYRNF-USMNODJMSA-N 50309487 CHEMBL601515::N-((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-(2-(1-isopropyl-1H-imidazol-4-yl)ethylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)cyclobutanecarboxamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.131 10.7270/Q2X92BDC 20031406 Beattie, D; Brearley, A; Brown, Z; Charlton, SJ; Cox, B; Fairhurst, RA; Fozard, JR; Gedeck, P; Kirkham, P; Meja, K; Nanson, L; Neef, J; Oakman, H; Spooner, G; Taylor, RJ; Turner, RJ; West, R; Woodward, H Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309487&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46230240 104163848 CHEMBL601515 ZINC49763135 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564440 O=c1[nH]c2nc(-c3ccco3)c(cc2c(=O)[nH]1)-c1ccncn1 InChI=1S/C15H9N5O3/c21-14-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-23-11)18-13(9)19-15(22)20-14/h1-7H,(H2,18,19,20,21,22) VYTAHRSDFGGCON-UHFFFAOYSA-N 50313071 7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione::CHEMBL1080513 Adenosine receptor A1 Homo sapiens 1727 ChEMBL 10.1016/j.bmcl.2010.01.077 10.7270/Q2GB2452 20138516 Eastwood, P; Gonzalez, J; Paredes, S; Fonquerna, S; Cardus, A; Alonso, JA; Nueda, A; Domenech, T; Reinoso, RF; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313071&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46880424 104147432 CHEMBL1080513 ZINC49033434 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564441 c1coc(c1)-c1nc2[nH]ccc2cc1-c1ccncn1 InChI=1S/C15H10N4O/c1-2-13(20-7-1)14-11(12-4-5-16-9-18-12)8-10-3-6-17-15(10)19-14/h1-9H,(H,17,19) SDUHCRWJXFZMQH-UHFFFAOYSA-N 50313072 6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine::CHEMBL1080512 Adenosine receptor A1 Homo sapiens 252 ChEMBL 10.1016/j.bmcl.2010.01.077 10.7270/Q2GB2452 20138516 Eastwood, P; Gonzalez, J; Paredes, S; Fonquerna, S; Cardus, A; Alonso, JA; Nueda, A; Domenech, T; Reinoso, RF; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313072&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11952665 104147433 CHEMBL1080512 ZINC49033316 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564442 O=c1[nH][nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 InChI=1S/C14H9N5O2/c20-14-9-6-8(10-3-4-15-7-16-10)12(11-2-1-5-21-11)17-13(9)18-19-14/h1-7H,(H2,17,18,19,20) ODIWALRZUVNYHC-UHFFFAOYSA-N 50313073 6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one::CHEMBL1080497 Adenosine receptor A1 Homo sapiens 82 ChEMBL 10.1016/j.bmcl.2010.01.077 10.7270/Q2GB2452 20138516 Eastwood, P; Gonzalez, J; Paredes, S; Fonquerna, S; Cardus, A; Alonso, JA; Nueda, A; Domenech, T; Reinoso, RF; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313073&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11952564 104147434 CHEMBL1080497 ZINC49032976 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564443 c1coc(c1)-c1nc2nc[nH]c2cc1-c1ccncn1 InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-9(10-3-4-15-7-16-10)6-11-14(19-13)18-8-17-11/h1-8H,(H,17,18,19) NDRMSISLKTZBKD-UHFFFAOYSA-N 50313074 5-(furan-2-yl)-6-(pyrimidin-4-yl)-3H-imidazo[4,5-b]pyridine::CHEMBL1080327 Adenosine receptor A1 Homo sapiens 717 ChEMBL 10.1016/j.bmcl.2010.01.077 10.7270/Q2GB2452 20138516 Eastwood, P; Gonzalez, J; Paredes, S; Fonquerna, S; Cardus, A; Alonso, JA; Nueda, A; Domenech, T; Reinoso, RF; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313074&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11952504 104147435 CHEMBL1080327 ZINC49033736 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564444 c1coc(c1)-c1nc2[nH]ncc2cc1-c1ccncn1 InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-10(11-3-4-15-8-16-11)6-9-7-17-19-14(9)18-13/h1-8H,(H,17,18,19) FUZVDFCUPYVIEA-UHFFFAOYSA-N 50313075 6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine::CHEMBL1082002 Adenosine receptor A1 Homo sapiens 478 ChEMBL 10.1016/j.bmcl.2010.01.077 10.7270/Q2GB2452 20138516 Eastwood, P; Gonzalez, J; Paredes, S; Fonquerna, S; Cardus, A; Alonso, JA; Nueda, A; Domenech, T; Reinoso, RF; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313075&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11952560 104147436 CHEMBL1082002 ZINC49047728 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564445 Nc1n[nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 InChI=1S/C14H10N6O/c15-13-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-21-11)18-14(9)20-19-13/h1-7H,(H3,15,18,19,20) CUIYZPCLAYEKMZ-UHFFFAOYSA-N 50313076 6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine::CHEMBL1082001 Adenosine receptor A1 Homo sapiens 357 ChEMBL 10.1016/j.bmcl.2010.01.077 10.7270/Q2GB2452 20138516 Eastwood, P; Gonzalez, J; Paredes, S; Fonquerna, S; Cardus, A; Alonso, JA; Nueda, A; Domenech, T; Reinoso, RF; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313076&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11952670 104147437 CHEMBL1082001 ZINC49089179 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564446 Cn1c2cc(-c3ccncn3)c(nc2[nH]c1=O)-c1ccco1 InChI=1S/C15H11N5O2/c1-20-11-7-9(10-4-5-16-8-17-10)13(12-3-2-6-22-12)18-14(11)19-15(20)21/h2-8H,1H3,(H,18,19,21) OWBPIGOKYQPEBA-UHFFFAOYSA-N 50313077 5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one::CHEMBL1081841 Adenosine receptor A1 Homo sapiens 2444 ChEMBL 10.1016/j.bmcl.2010.01.077 10.7270/Q2GB2452 20138516 Eastwood, P; Gonzalez, J; Paredes, S; Fonquerna, S; Cardus, A; Alonso, JA; Nueda, A; Domenech, T; Reinoso, RF; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313077&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11952559 104147438 CHEMBL1081841 ZINC49036311 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564447 O=c1[nH]c2cc(-c3ccncn3)c(nc2[nH]1)-c1ccco1 InChI=1S/C14H9N5O2/c20-14-17-10-6-8(9-3-4-15-7-16-9)12(18-13(10)19-14)11-2-1-5-21-11/h1-7H,(H2,17,18,19,20) MKVQVZUHJKLKRR-UHFFFAOYSA-N 50313078 5-(furan-2-yl)-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one::CHEMBL1076563 Adenosine receptor A1 Homo sapiens 317 ChEMBL 10.1016/j.bmcl.2010.01.077 10.7270/Q2GB2452 20138516 Eastwood, P; Gonzalez, J; Paredes, S; Fonquerna, S; Cardus, A; Alonso, JA; Nueda, A; Domenech, T; Reinoso, RF; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313078&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11953248 104147439 CHEMBL1076563 ZINC49426893 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50564448 O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22) QLBNYHQORUEQJE-UHFFFAOYSA-N 50312966 CHEMBL1081971::N-(6-(furan-2-yl)-5-(pyrimidin-4-yl)pyridin-2-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 931 ChEMBL 10.1016/j.bmcl.2010.01.077 10.7270/Q2GB2452 20138516 Eastwood, P; Gonzalez, J; Paredes, S; Fonquerna, S; Cardus, A; Alonso, JA; Nueda, A; Domenech, T; Reinoso, RF; Vidal, B Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312966&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46866592 104147327 CHEMBL1081971 ZINC49036993 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573630 CN(C)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C23H23N5O2/c1-27(2)11-12-28(3)22(30)15-9-10-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,24,25,26) KWNQLIKVSUPVBX-UHFFFAOYSA-N 50316869 2-amino-N-(2-(dimethylamino)ethyl)-N-methyl-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide::CHEMBL1088259 Adenosine receptor A1 Homo sapiens 208 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316869&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889171 104151230 CHEMBL1088259 ZINC49802201 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573631 CCN(CC)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C25H27N5O2/c1-4-30(5-2)14-13-29(3)24(32)17-11-12-18-19(15-17)22-20(23(18)31)21(27-25(26)28-22)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,26,27,28) BAYXBWKQTLRHKB-UHFFFAOYSA-N 50316870 2-amino-N-(2-(diethylamino)ethyl)-N-methyl-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide::CHEMBL1088260 Adenosine receptor A1 Homo sapiens 94.7 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316870&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889172 104151231 CHEMBL1088260 ZINC49067305 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573632 CCN(CC)CCNC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C24H25N5O2/c1-3-29(4-2)13-12-26-23(31)16-10-11-17-18(14-16)21-19(22(17)30)20(27-24(25)28-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,26,31)(H2,25,27,28) WJGBYZBWLQKBTQ-UHFFFAOYSA-N 50316871 2-amino-N-(2-(diethylamino)ethyl)-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide::CHEMBL1088261 Adenosine receptor A1 Homo sapiens 45.2 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316871&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889173 104151232 CHEMBL1088261 ZINC49067307 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573633 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)NCCN1CCOCC1 InChI=1S/C24H23N5O3/c25-24-27-20(15-4-2-1-3-5-15)19-21(28-24)18-14-16(6-7-17(18)22(19)30)23(31)26-8-9-29-10-12-32-13-11-29/h1-7,14H,8-13H2,(H,26,31)(H2,25,27,28) HEXQGNRSPOMWKM-UHFFFAOYSA-N 50316872 2-amino-N-(2-morpholinoethyl)-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide::CHEMBL1088393 Adenosine receptor A1 Homo sapiens 215 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316872&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889174 104151233 CHEMBL1088393 ZINC49066447 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573634 CN(C1CCN(C)CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C25H25N5O2/c1-29-12-10-17(11-13-29)30(2)24(32)16-8-9-18-19(14-16)22-20(23(18)31)21(27-25(26)28-22)15-6-4-3-5-7-15/h3-9,14,17H,10-13H2,1-2H3,(H2,26,27,28) HLCGQIDKBLKLOC-UHFFFAOYSA-N 50316873 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide::CHEMBL1086804 Adenosine receptor A1 Homo sapiens 258 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316873&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889205 104151234 CHEMBL1086804 ZINC49050273 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573635 CC(C)N1CCC(CC1)NC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C26H27N5O2/c1-15(2)31-12-10-18(11-13-31)28-25(33)17-8-9-19-20(14-17)23-21(24(19)32)22(29-26(27)30-23)16-6-4-3-5-7-16/h3-9,14-15,18H,10-13H2,1-2H3,(H,28,33)(H2,27,29,30) ZUNBFPQTZYAJAK-UHFFFAOYSA-N 50316874 2-amino-N-(1-isopropylpiperidin-4-yl)-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-8-carboxamide::CHEMBL1087183 Adenosine receptor A1 Homo sapiens 119 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316874&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889206 104151235 CHEMBL1087183 ZINC49052357 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573636 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1 InChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26) HIPQFJMNAUZMJG-UHFFFAOYSA-N 50316875 2-amino-4-phenyl-8-(piperazine-1-carbonyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087184 Adenosine receptor A1 Homo sapiens 12.3 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316875&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889207 104151236 CHEMBL1087184 ZINC49112768 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573637 CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26) WEDKBAZTBXZYBK-UHFFFAOYSA-N 50316876 2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087185 Adenosine receptor A1 Homo sapiens 58.4 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316876&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25242440 104151237 CHEMBL1087185 ZINC43204792 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573638 CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1 InChI=1S/C23H20FN5O2/c1-28-8-10-29(11-9-28)22(31)14-4-7-16-17(12-14)20-18(21(16)30)19(26-23(25)27-20)13-2-5-15(24)6-3-13/h2-7,12H,8-11H2,1H3,(H2,25,26,27) MWRVYQSMUIMRJB-UHFFFAOYSA-N 50316877 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1086697 Adenosine receptor A1 Homo sapiens 101 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316877&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889228 104151238 CHEMBL1086697 ZINC49054017 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573639 CCN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C24H23N5O2/c1-2-28-10-12-29(13-11-28)23(31)16-8-9-17-18(14-16)21-19(22(17)30)20(26-24(25)27-21)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,25,26,27) PUDOIQALSBSGES-UHFFFAOYSA-N 50316878 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087084 Adenosine receptor A1 Homo sapiens 67.4 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316878&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889229 104151239 CHEMBL1087084 ZINC49048918 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573640 CCN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1 InChI=1S/C24H22FN5O2/c1-2-29-9-11-30(12-10-29)23(32)15-5-8-17-18(13-15)21-19(22(17)31)20(27-24(26)28-21)14-3-6-16(25)7-4-14/h3-8,13H,2,9-12H2,1H3,(H2,26,27,28) LOSSCOJTSWWTQO-UHFFFAOYSA-N 50316879 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087085 Adenosine receptor A1 Homo sapiens 191 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316879&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889230 104151240 CHEMBL1087085 ZINC49114667 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573641 CC(C)N1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C25H25N5O2/c1-15(2)29-10-12-30(13-11-29)24(32)17-8-9-18-19(14-17)22-20(23(18)31)21(27-25(26)28-22)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,28) QXJULKWSMKOTMF-UHFFFAOYSA-N 50316880 2-amino-8-(4-isopropylpiperazine-1-carbonyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087086 Adenosine receptor A1 Homo sapiens 84.1 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316880&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889231 104151241 CHEMBL1087086 ZINC49049352 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573642 CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24) KSTJTXFKYKEBRB-UHFFFAOYSA-N 50316881 2-amino-8-(2-(dimethylamino)ethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088710 Adenosine receptor A1 Homo sapiens 33.3 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316881&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889252 104151242 CHEMBL1088710 ZINC49055668 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573643 CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1 InChI=1S/C21H19FN4O2/c1-26(2)9-10-28-14-7-8-15-16(11-14)19-17(20(15)27)18(24-21(23)25-19)12-3-5-13(22)6-4-12/h3-8,11H,9-10H2,1-2H3,(H2,23,24,25) GYGCSLNRCIBNMJ-UHFFFAOYSA-N 50316882 2-amino-8-(2-(dimethylamino)ethoxy)-4-(4-fluorophenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087998 Adenosine receptor A1 Homo sapiens 37.4 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316882&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889253 104151243 CHEMBL1087998 ZINC49111968 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573644 CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C23H24N4O2/c1-3-27(4-2)12-13-29-16-10-11-17-18(14-16)21-19(22(17)28)20(25-23(24)26-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,25,26) HOQTXEAKDQLKNF-UHFFFAOYSA-N 50316883 2-amino-8-(2-(diethylamino)ethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087999 Adenosine receptor A1 Homo sapiens 103 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316883&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889254 104151244 CHEMBL1087999 ZINC49050561 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573645 CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1 InChI=1S/C23H23FN4O2/c1-3-28(4-2)11-12-30-16-9-10-17-18(13-16)21-19(22(17)29)20(26-23(25)27-21)14-5-7-15(24)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,27) OADIQRCNKQAJAJ-UHFFFAOYSA-N 50316884 2-amino-8-(2-(diethylamino)ethoxy)-4-(4-fluorophenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088132 Adenosine receptor A1 Homo sapiens 414 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316884&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889255 104151245 CHEMBL1088132 ZINC49051064 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573646 CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1)C(C)C InChI=1S/C25H28N4O2/c1-15(2)29(16(3)4)12-13-31-18-10-11-19-20(14-18)23-21(24(19)30)22(27-25(26)28-23)17-8-6-5-7-9-17/h5-11,14-16H,12-13H2,1-4H3,(H2,26,27,28) DXHVDEOWTGAGFG-UHFFFAOYSA-N 50316885 2-amino-8-(2-(diisopropylamino)ethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1094721 Adenosine receptor A1 Homo sapiens 187 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316885&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889256 104151246 CHEMBL1094721 ZINC49071029 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573647 Nc1nc2-c3cc(OCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C24H24N4O2/c25-24-26-21(16-7-3-1-4-8-16)20-22(27-24)19-15-17(9-10-18(19)23(20)29)30-14-13-28-11-5-2-6-12-28/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,25,26,27) XWPJRSCGRMWLPR-UHFFFAOYSA-N 50316886 2-amino-4-phenyl-8-(2-(piperidin-1-yl)ethoxy)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095487 Adenosine receptor A1 Homo sapiens 194 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316886&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888782 104151247 CHEMBL1095487 ZINC49069798 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573648 Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26) BCDASHXLAMCATI-UHFFFAOYSA-N 50316887 2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095488 Adenosine receptor A1 Homo sapiens 48.2 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316887&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25268841 104151248 CHEMBL1095488 ZINC43204862 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573649 Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1 InChI=1S/C23H21FN4O3/c24-15-3-1-14(2-4-15)20-19-21(27-23(25)26-20)18-13-16(5-6-17(18)22(19)29)31-12-9-28-7-10-30-11-8-28/h1-6,13H,7-12H2,(H2,25,26,27) PQWQKWNXFNDECT-UHFFFAOYSA-N 50316888 2-amino-4-(4-fluorophenyl)-8-(2-morpholinoethoxy)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095489 Adenosine receptor A1 Homo sapiens 203 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316888&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888783 104151249 CHEMBL1095489 ZINC49111558 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573650 Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H22N4O2/c24-23-25-20(15-6-2-1-3-7-15)19-21(26-23)18-14-16(8-9-17(18)22(19)28)29-13-12-27-10-4-5-11-27/h1-3,6-9,14H,4-5,10-13H2,(H2,24,25,26) DWAWMNJZTVBRAL-UHFFFAOYSA-N 50316889 2-amino-4-phenyl-8-(2-(pyrrolidin-1-yl)ethoxy)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095490 Adenosine receptor A1 Homo sapiens 159 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316889&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888784 104151250 CHEMBL1095490 ZINC49087510 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573651 Nc1nc2-c3cc(OCCN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccc(F)cc1 InChI=1S/C25H23FN4O2/c26-15-3-1-14(2-4-15)22-21-23(29-25(27)28-22)20-13-18(9-10-19(20)24(21)31)32-12-11-30-16-5-6-17(30)8-7-16/h1-4,9-10,13,16-17H,5-8,11-12H2,(H2,27,28,29) WBLMHURFHUCHAL-UHFFFAOYSA-N 50316890 8-(2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy)-2-amino-4-(4-fluorophenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1094846 Adenosine receptor A1 Homo sapiens 337 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316890&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888821 104151251 CHEMBL1094846 ZINC49070165 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573652 CN(C)CCN(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C22H23N5O/c1-26(2)11-12-27(3)15-9-10-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,23,24,25) WUIPOKWUCKPSLZ-UHFFFAOYSA-N 50316891 2-amino-8-((2-(dimethylamino)ethyl)(methyl)amino)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1098457 Adenosine receptor A1 Homo sapiens 57.3 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316891&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888822 104151252 CHEMBL1098457 ZINC49089444 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573653 Nc1nc2-c3cc(NCCc4ccncc4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29) SGCKFTQBQUYCKZ-UHFFFAOYSA-N 50316892 2-amino-4-phenyl-8-(2-(pyridin-4-yl)ethylamino)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1098458 Adenosine receptor A1 Homo sapiens 12.7 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316892&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888823 104151253 CHEMBL1098458 ZINC49088883 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573654 Nc1nc2-c3cc(NCCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C24H19N5O/c25-24-28-21(15-6-2-1-3-7-15)20-22(29-24)19-14-17(9-10-18(19)23(20)30)27-13-11-16-8-4-5-12-26-16/h1-10,12,14,27H,11,13H2,(H2,25,28,29) TYLFOJLVILICJZ-UHFFFAOYSA-N 50316893 2-amino-4-phenyl-8-(2-(pyridin-2-yl)ethylamino)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1098765 Adenosine receptor A1 Homo sapiens 15.4 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316893&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888824 104151254 CHEMBL1098765 ZINC49088368 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573655 Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H23N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-30-13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27) DSTDWPJEOBCICR-UHFFFAOYSA-N 50316894 2-amino-8-(2-morpholinoethylamino)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095172 Adenosine receptor A1 Homo sapiens 32.7 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316894&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861780 104151255 CHEMBL1095172 ZINC49071334 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573656 Nc1nc2-c3cc(NCCN4CCS(=O)(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H23N5O3S/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-32(30,31)13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27) BJKOHLYVJHWNOD-UHFFFAOYSA-N 50316895 2-Amino-8-[2-(1,1-dioxo-1lambda*6*-thiomorpholin-4-yl)-ethylamino]-4-phenyl-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095811 Adenosine receptor A1 Homo sapiens 46.7 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316895&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888850 104151256 CHEMBL1095811 ZINC49088398 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573657 CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C24H25N5O/c1-2-29-12-10-16(11-13-29)26-17-8-9-18-19(14-17)22-20(23(18)30)21(27-24(25)28-22)15-6-4-3-5-7-15/h3-9,14,16,26H,2,10-13H2,1H3,(H2,25,27,28) XEDRPMHGWQSYFG-UHFFFAOYSA-N 50316896 2-amino-8-(1-ethylpiperidin-4-ylamino)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095812 Adenosine receptor A1 Homo sapiens 142 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316896&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888851 104151257 CHEMBL1095812 ZINC49088536 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573658 CCN1CCC(CC1)N(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C25H27N5O/c1-3-30-13-11-17(12-14-30)29(2)18-9-10-19-20(15-18)23-21(24(19)31)22(27-25(26)28-23)16-7-5-4-6-8-16/h4-10,15,17H,3,11-14H2,1-2H3,(H2,26,27,28) ZVFRNYFWZZIAIU-UHFFFAOYSA-N 50316897 2-amino-8-((1-ethylpiperidin-4-yl)(methyl)amino)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095813 Adenosine receptor A1 Homo sapiens 16.4 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316897&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888852 104151258 CHEMBL1095813 ZINC49113147 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573659 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCOCC1 InChI=1S/C21H18N4O2/c22-21-23-18(13-4-2-1-3-5-13)17-19(24-21)16-12-14(6-7-15(16)20(17)26)25-8-10-27-11-9-25/h1-7,12H,8-11H2,(H2,22,23,24) APTVDLWJMSPJIX-UHFFFAOYSA-N 50316898 2-amino-8-morpholino-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095822 Adenosine receptor A1 Homo sapiens 32.4 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316898&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888879 104151259 CHEMBL1095822 ZINC49125303 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573660 CN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C22H21N5O/c1-26-9-11-27(12-10-26)15-7-8-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,23,24,25) OHQBUEYIMQLWTE-UHFFFAOYSA-N 50316899 2-amino-8-(4-methylpiperazin-1-yl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1096134 Adenosine receptor A1 Homo sapiens 35.6 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316899&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861781 104151260 CHEMBL1096134 ZINC49088407 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573661 CCN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C23H23N5O/c1-2-27-10-12-28(13-11-27)16-8-9-17-18(14-16)21-19(22(17)29)20(25-23(24)26-21)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,24,25,26) XLSSARDYBBWOGO-UHFFFAOYSA-N 50316900 2-amino-8-(4-ethylpiperazin-1-yl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1094244 Adenosine receptor A1 Homo sapiens 256 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316900&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861782 104151261 CHEMBL1094244 ZINC49110389 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573662 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCN(CC2CC2)CC1 InChI=1S/C25H25N5O/c26-25-27-22(17-4-2-1-3-5-17)21-23(28-25)20-14-18(8-9-19(20)24(21)31)30-12-10-29(11-13-30)15-16-6-7-16/h1-5,8-9,14,16H,6-7,10-13,15H2,(H2,26,27,28) CORFRTXQSXGXNV-UHFFFAOYSA-N 50316901 2-amino-8-(4-(cyclopropylmethyl)piperazin-1-yl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1094547 Adenosine receptor A1 Homo sapiens 253 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316901&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888880 104151262 CHEMBL1094547 ZINC49072897 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573663 CN1CCCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C23H23N5O/c1-27-10-5-11-28(13-12-27)16-8-9-17-18(14-16)21-19(22(17)29)20(25-23(24)26-21)15-6-3-2-4-7-15/h2-4,6-9,14H,5,10-13H2,1H3,(H2,24,25,26) IDJNGOYBTYPVDN-UHFFFAOYSA-N 50316868 2-amino-8-(4-methyl-1,4-diazepan-1-yl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1094548 Adenosine receptor A1 Homo sapiens 137 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316868&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888881 104151229 CHEMBL1094548 ZINC49111146 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573665 CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1)C(C)C InChI=1S/C25H27FN4O2/c1-14(2)30(15(3)4)11-12-32-18-9-10-19-20(13-18)23-21(24(19)31)22(28-25(27)29-23)16-5-7-17(26)8-6-16/h5-10,13-15H,11-12H2,1-4H3,(H2,27,28,29) XPWXTSNMGCRLTD-UHFFFAOYSA-N 50316902 2-amino-8-(2-(diisopropylamino)ethoxy)-4-(4-fluorophenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087080 Adenosine receptor A1 Homo sapiens 468 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316902&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888923 104151263 CHEMBL1087080 ZINC49048390 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573667 Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1 InChI=1S/C23H21FN4O2/c24-15-5-3-14(4-6-15)20-19-21(27-23(25)26-20)18-13-16(7-8-17(18)22(19)29)30-12-11-28-9-1-2-10-28/h3-8,13H,1-2,9-12H2,(H2,25,26,27) DOUZYYPAGNYRDV-UHFFFAOYSA-N 50316903 2-amino-4-(4-fluorophenyl)-8-(2-(pyrrolidin-1-yl)ethoxy)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087081 Adenosine receptor A1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2010.03.024 10.7270/Q27S7NXB 20338760 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316903&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888924 104151264 CHEMBL1087081 ZINC49114663 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570552 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccccc1 InChI=1S/C13H11N7/c1-19-7-9-11(17-19)16-13(14)20-12(9)15-10(18-20)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16,17) QTXRPASVXQWVIQ-UHFFFAOYSA-N 50315620 2-(Phenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidin-5-amine::CHEMBL1091031 Adenosine receptor A1 Homo sapiens 339 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315620&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205479 104149981 CHEMBL1091031 ZINC49115998 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570553 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(F)cc1 InChI=1S/C13H10FN7/c1-20-6-9-11(18-20)17-13(15)21-12(9)16-10(19-21)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,17,18) HNASIMBMXSXIHF-UHFFFAOYSA-N 50315621 2-(4-Fluorophenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]-pyrimidin-5-amine::CHEMBL1090489 Adenosine receptor A1 Homo sapiens 1010 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315621&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205480 104149982 CHEMBL1090489 ZINC49071083 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570554 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1 InChI=1S/C13H10ClN7/c1-20-6-9-11(18-20)17-13(15)21-12(9)16-10(19-21)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,17,18) PITCNLCEBRHIAU-UHFFFAOYSA-N 50315622 2-(4-Chlorophenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]-pyrimidin-5-amine::CHEMBL1090810 Adenosine receptor A1 Homo sapiens 4860 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315622&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205481 104149983 CHEMBL1090810 ZINC49071099 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570555 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Br)cc1 InChI=1S/C13H10BrN7/c1-20-6-9-11(18-20)17-13(15)21-12(9)16-10(19-21)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,17,18) MMSBEDKQYXATNO-UHFFFAOYSA-N 50315623 2-(4-Bromophenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]-pyrimidin-5-amine::CHEMBL1090811 Adenosine receptor A1 Homo sapiens 2890 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315623&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205482 104149984 CHEMBL1090811 ZINC49071101 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570556 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N)n2n1 InChI=1S/C14H13N7O/c1-20-7-10-12(18-20)17-14(15)21-13(10)16-11(19-21)8-3-5-9(22-2)6-4-8/h3-7H,1-2H3,(H2,15,17,18) CZTHOMSSFZEDSJ-UHFFFAOYSA-N 50315624 2-(4-Methoxyphenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo-[1,5-c]pyrimidin-5-amine::CHEMBL1090812 Adenosine receptor A1 Homo sapiens 9730 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315624&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205483 104149985 CHEMBL1090812 ZINC49071103 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570557 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O InChI=1S/C13H10N8O2/c1-19-6-9-11(17-19)16-13(14)20-12(9)15-10(18-20)7-2-4-8(5-3-7)21(22)23/h2-6H,1H3,(H2,14,16,17) SAAANUYWBMKBFR-UHFFFAOYSA-N 50315625 2-(4-Nitrophenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]-pyrimidin-5-amine::CHEMBL1089427 Adenosine receptor A1 Homo sapiens >300000 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315625&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205484 104149986 CHEMBL1089427 ZINC49113546 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570558 CCn1ncc2c1nc(N)n1nc(nc21)-c1ccc(Cl)cc1 InChI=1S/C14H12ClN7/c1-2-21-12-10(7-17-21)13-18-11(20-22(13)14(16)19-12)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H2,16,19) WXXKMZHGBWNPMA-UHFFFAOYSA-N 50315626 2-(4-Chlorophenyl)-7-ethylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]-pyrimidin-5-amine::CHEMBL1093430 Adenosine receptor A1 Homo sapiens 121 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315626&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205485 104149987 CHEMBL1093430 ZINC49068955 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570559 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1 InChI=1S/C14H12ClN7/c1-2-21-7-10-12(19-21)18-14(16)22-13(10)17-11(20-22)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H2,16,18,19) OLNGYGWNTPUKSR-UHFFFAOYSA-N 50315627 2-(4-Chlorophenyl)-8-ethylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]-pyrimidin-5-amine::CHEMBL1089131 Adenosine receptor A1 Homo sapiens 1570 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315627&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205805 104149988 CHEMBL1089131 ZINC49112576 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570560 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 InChI=1S/C20H17N7/c21-20-23-18-16(13-26(24-18)12-11-14-7-3-1-4-8-14)19-22-17(25-27(19)20)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,21,23,24) PTHJOKZGPLNYAC-UHFFFAOYSA-N 50315628 2-(Phenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]-pyrimidin-5-amine::CHEMBL1093431 Adenosine receptor A1 Homo sapiens 74.8 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315628&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10316176 104149989 CHEMBL1093431 ZINC38494590 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570561 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(F)cc1 InChI=1S/C20H16FN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25) GMRHTQCCQOJVEP-UHFFFAOYSA-N 50315629 2-(4-Fluorophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triazolo-[1,5-c]pyrimidin-5-amine::CHEMBL1093432 Adenosine receptor A1 Homo sapiens 39.1 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315629&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205806 104149990 CHEMBL1093432 ZINC49069320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570562 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C20H16ClN7/c21-15-8-6-14(7-9-15)17-24-19-16-12-23-27(11-10-13-4-2-1-3-5-13)18(16)25-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,25) IRPSOMIAYKIXLG-UHFFFAOYSA-N 50125914 2-(4-Chloro-phenyl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-(4-Chlorophenyl)-7-phenylethylpyrazolo[4,3-e]1,2,4-triazolo-[1,5-c]pyrimidin-5-amine::CHEMBL21654 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125914&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11731871 104018090 CHEMBL21654 ZINC13493987 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570563 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C20H16ClN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25) PDDCXLRXZGFYCT-UHFFFAOYSA-N 50315630 2-(4-Chlorophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triazolo-[1,5-c]pyrimidin-5-amine::CHEMBL1089887 Adenosine receptor A1 Homo sapiens 204 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315630&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205807 104149991 CHEMBL1089887 ZINC49067751 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570564 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1 InChI=1S/C20H16BrN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25) QKVZOWPLOFOSQQ-UHFFFAOYSA-N 50315631 2-(4-Bromophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triazolo-[1,5-c]pyrimidin-5-amine::CHEMBL1089902 Adenosine receptor A1 Homo sapiens 498 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315631&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205808 104149992 CHEMBL1089902 ZINC49112363 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570565 COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(N)n2n1 InChI=1S/C21H19N7O/c1-29-16-9-7-15(8-10-16)18-23-20-17-13-27(12-11-14-5-3-2-4-6-14)25-19(17)24-21(22)28(20)26-18/h2-10,13H,11-12H2,1H3,(H2,22,24,25) RWUVXOBBTQTDLL-UHFFFAOYSA-N 50315632 2-(4-Methoxyphenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidin-5-amine::CHEMBL1089903 Adenosine receptor A1 Homo sapiens 289 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315632&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205809 104149993 CHEMBL1089903 ZINC49067755 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570566 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1 InChI=1S/C20H15N7O/c1-26-12-15-17(24-26)22-20(23-19(28)14-10-6-3-7-11-14)27-18(15)21-16(25-27)13-8-4-2-5-9-13/h2-12H,1H3,(H,22,23,24,28) UDLCSCAETZRITG-UHFFFAOYSA-N 50315633 CHEMBL1089904::N-[2-(Phenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens 622 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315633&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46205810 104149994 CHEMBL1089904 ZINC49068581 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570567 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(F)cc1 InChI=1S/C20H14FN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29) YOTLFZMKUGEPLL-UHFFFAOYSA-N 50315634 CHEMBL1091134::N-[2-(4-Fluorophenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens 2530 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315634&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206128 104149995 CHEMBL1091134 ZINC49112010 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570568 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 InChI=1S/C20H14ClN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29) RJRNIYNYPSVEPA-UHFFFAOYSA-N 50315635 CHEMBL1089905::N-[2-(4-Chlorophenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315635&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206129 104149996 CHEMBL1089905 ZINC49112471 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570569 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 InChI=1S/C20H14BrN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29) HHGORBANVQEXRY-UHFFFAOYSA-N 50315636 CHEMBL1090241::N-[2-(4-Bromophenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315636&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206130 104149997 CHEMBL1090241 ZINC49069470 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570570 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)c3ccccc3)n2n1 InChI=1S/C21H17N7O2/c1-27-12-16-18(25-27)23-21(24-20(29)14-6-4-3-5-7-14)28-19(16)22-17(26-28)13-8-10-15(30-2)11-9-13/h3-12H,1-2H3,(H,23,24,25,29) NBXZRVOKYGLZDS-UHFFFAOYSA-N 50315637 CHEMBL1090242::N-[2-(4-Methoxyphenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315637&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206131 104149998 CHEMBL1090242 ZINC49115673 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570571 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O InChI=1S/C20H14N8O3/c1-26-11-15-17(24-26)22-20(23-19(29)13-5-3-2-4-6-13)27-18(15)21-16(25-27)12-7-9-14(10-8-12)28(30)31/h2-11H,1H3,(H,22,23,24,29) XVNWEFTXOFISQF-UHFFFAOYSA-N 50315638 CHEMBL1090243::N-[2-(4-Nitrophenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315638&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206132 104149999 CHEMBL1090243 ZINC49069472 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570572 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1 InChI=1S/C28H21N7O3/c1-33-17-22-24(31-33)30-28(35-25(22)29-23(32-35)18-13-15-21(38-2)16-14-18)34(26(36)19-9-5-3-6-10-19)27(37)20-11-7-4-8-12-20/h3-17H,1-2H3 BHIAMMOJJASTFP-UHFFFAOYSA-N 50315639 CHEMBL1091963::N-Benzoyl-N-[8-methyl-2-(4-methoxyphenyl)-8H-pyrazolo-[4,3-e][1,2,4]triazolo[1,5 c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315639&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206133 104150000 CHEMBL1091963 ZINC49125839 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570573 Cn1cc2c(n1)nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 InChI=1S/C27H18ClN7O2/c1-33-16-21-23(31-33)30-27(35-24(21)29-22(32-35)17-12-14-20(28)15-13-17)34(25(36)18-8-4-2-5-9-18)26(37)19-10-6-3-7-11-19/h2-16H,1H3 JOZDSZQTJWNAIG-UHFFFAOYSA-N 50315640 CHEMBL1093201::N-Benzoyl-N-[8-methyl-2-(4-chlorophenyl)-8H-pyrazolo[4,3-e]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315640&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206464 104150001 CHEMBL1093201 ZINC49112586 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570574 O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1 InChI=1S/C27H21N7O/c35-26(21-14-8-3-9-15-21)30-27-29-24-22(18-33(31-24)17-16-19-10-4-1-5-11-19)25-28-23(32-34(25)27)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,29,30,31,35) VSWCOBIDKGRDKM-UHFFFAOYSA-N 50315641 CHEMBL1093202::N-[2-(Phenyl)-8-phenylethyl-pyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens 313 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315641&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206465 104150002 CHEMBL1093202 ZINC49070441 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570575 Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 InChI=1S/C27H20BrN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) PCEGTWAEMUHEIY-UHFFFAOYSA-N 50315642 CHEMBL1091267::N-[2-(4-Bromophenyl)-8-phenylethyl-pyrazolo[4,3-e][1,2,4]-triazolo[1,5-c]pyrimidin-5-yl]benzamide Adenosine receptor A1 Homo sapiens 270 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315642&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206466 104150003 CHEMBL1091267 ZINC49780614 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570576 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1 InChI=1S/C21H17N7O/c1-27-13-16-19(25-27)24-21(22-17(29)12-14-8-4-2-5-9-14)28-20(16)23-18(26-28)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,22,24,25,29) MTMOVZKSTQOGHY-UHFFFAOYSA-N 50315643 CHEMBL1091268::N-[2-(Phenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]phenylacetamide Adenosine receptor A1 Homo sapiens 562 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315643&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206467 104150004 CHEMBL1091268 ZINC49112423 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570577 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1 InChI=1S/C21H16FN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30) VZVVPDLBYXFYCO-UHFFFAOYSA-N 50315644 CHEMBL1091640::N-[2-(4-Fluorophenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]phenylacetamide Adenosine receptor A1 Homo sapiens 2290 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315644&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206468 104150005 CHEMBL1091640 ZINC49116335 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570578 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 InChI=1S/C21H16ClN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30) SOLAKJOEVYUONT-UHFFFAOYSA-N 50315645 CHEMBL1091641::N-[2-(4-Chlorophenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]phenylacetamide Adenosine receptor A1 Homo sapiens 4850 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315645&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206469 104150006 CHEMBL1091641 ZINC49072679 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570579 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 InChI=1S/C21H16BrN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30) VRVDXRJXVUQQEP-UHFFFAOYSA-N 50315646 CHEMBL1091937::N-[2-(4-Bromophenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]phenylacetamide Adenosine receptor A1 Homo sapiens 24400 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315646&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206809 104150007 CHEMBL1091937 ZINC49069578 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570580 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)Cc3ccccc3)n2n1 InChI=1S/C22H19N7O2/c1-28-13-17-20(26-28)25-22(23-18(30)12-14-6-4-3-5-7-14)29-21(17)24-19(27-29)15-8-10-16(31-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,23,25,26,30) HUOOJHJWYIJSMB-UHFFFAOYSA-N 50315647 CHEMBL1091938::N-[2-(4-Methoxyphenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]phenylacetamide Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315647&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206810 104150008 CHEMBL1091938 ZINC49116263 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50570581 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O InChI=1S/C21H16N8O3/c1-27-12-16-19(25-27)24-21(22-17(30)11-13-5-3-2-4-6-13)28-20(16)23-18(26-28)14-7-9-15(10-8-14)29(31)32/h2-10,12H,11H2,1H3,(H,22,24,25,30) NSOPBBBAYUYNKP-UHFFFAOYSA-N 50315648 CHEMBL1090461::N-[2-(4-Nitrophenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]phenylacetamide Adenosine receptor A1 Homo sapiens 23200 ChEMBL 10.1021/jm100049f 10.7270/Q2DR2VNJ 20307065 Cheong, SL; Dolzhenko, A; Kachler, S; Paoletta, S; Federico, S; Cacciari, B; Dolzhenko, A; Klotz, KN; Moro, S; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315648&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46206811 104150009 CHEMBL1090461 ZINC49069106 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573891 Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccccc1 InChI=1S/C22H20N4O/c23-22-24-19(14-7-2-1-3-8-14)18-20(25-22)17-15(13-26-11-4-5-12-26)9-6-10-16(17)21(18)27/h1-3,6-10H,4-5,11-13H2,(H2,23,24,25) VNKVESZANYVNNB-UHFFFAOYSA-N 50316992 2-amino-4-phenyl-9-(pyrrolidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087709 Adenosine receptor A1 Homo sapiens 116 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316992&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861769 104151353 CHEMBL1087709 ZINC49048070 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573893 Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1 InChI=1S/C22H19FN4O/c23-15-8-6-13(7-9-15)19-18-20(26-22(24)25-19)17-14(12-27-10-1-2-11-27)4-3-5-16(17)21(18)28/h3-9H,1-2,10-12H2,(H2,24,25,26) IAGDICXFKFJSFF-UHFFFAOYSA-N 50316993 2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087710 Adenosine receptor A1 Homo sapiens 85 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316993&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861770 104151354 CHEMBL1087710 ZINC49110449 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573895 CC1CCC(C)N1Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12 InChI=1S/C24H24N4O/c1-14-11-12-15(2)28(14)13-17-9-6-10-18-19(17)22-20(23(18)29)21(26-24(25)27-22)16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,26,27) UMJOOJXWGPXRLE-UHFFFAOYSA-N 50316994 2-amino-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087711 Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316994&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889043 104151355 CHEMBL1087711 ZINC49048571 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573897 Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27) PHKMNQZRCLRHSW-UHFFFAOYSA-N 50316995 2-amino-8-((furan-2-ylmethylamino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087714 Adenosine receptor A1 Homo sapiens 12.5 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316995&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889044 104151356 CHEMBL1087714 ZINC49048579 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573899 Nc1nc2-c3cc(CNCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C24H19N5O/c25-24-28-21(16-6-2-1-3-7-16)20-22(29-24)19-12-15(9-10-18(19)23(20)30)13-26-14-17-8-4-5-11-27-17/h1-12,26H,13-14H2,(H2,25,28,29) RRFVLQBVGAHGSD-UHFFFAOYSA-N 50316996 2-amino-4-phenyl-8-((pyridin-2-ylmethylamino)methyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088235 Adenosine receptor A1 Homo sapiens 26.3 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316996&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889068 104151357 CHEMBL1088235 ZINC49113856 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573901 Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H23N5O/c24-23-26-20(16-7-3-1-4-8-16)19-21(27-23)18-13-15(9-10-17(18)22(19)29)14-25-28-11-5-2-6-12-28/h1,3-4,7-10,13,25H,2,5-6,11-12,14H2,(H2,24,26,27) VRRANJKMULPSHU-UHFFFAOYSA-N 50316997 2-amino-4-phenyl-8-((piperidin-1-ylamino)methyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088236 Adenosine receptor A1 Homo sapiens 20.4 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316997&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889069 104151358 CHEMBL1088236 ZINC49066425 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573903 Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1 InChI=1S/C23H22FN5O/c24-16-7-5-15(6-8-16)20-19-21(28-23(25)27-20)18-12-14(4-9-17(18)22(19)30)13-26-29-10-2-1-3-11-29/h4-9,12,26H,1-3,10-11,13H2,(H2,25,27,28) GGAZVUQOKKTTGU-UHFFFAOYSA-N 50316998 2-amino-4-(4-fluorophenyl)-8-((piperidin-1-ylamino)methyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088237 Adenosine receptor A1 Homo sapiens 95.7 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316998&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889070 104151359 CHEMBL1088237 ZINC49066427 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573905 CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C23H24N6O/c1-28-9-11-29(12-10-28)25-14-15-7-8-17-18(13-15)21-19(22(17)30)20(26-23(24)27-21)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14H2,1H3,(H2,24,26,27) AGRVNXQAHMJVIS-UHFFFAOYSA-N 50316999 2-amino-8-((4-methylpiperazin-1-ylamino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088665 Adenosine receptor A1 Homo sapiens 86.2 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316999&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889071 104151360 CHEMBL1088665 ZINC49124943 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573907 CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1 InChI=1S/C23H23FN6O/c1-29-8-10-30(11-9-29)26-13-14-2-7-17-18(12-14)21-19(22(17)31)20(27-23(25)28-21)15-3-5-16(24)6-4-15/h2-7,12,26H,8-11,13H2,1H3,(H2,25,27,28) JMJDTXSWQPHOGL-UHFFFAOYSA-N 50317000 2-amino-4-(4-fluorophenyl)-8-((4-methylpiperazin-1-ylamino)methyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087726 Adenosine receptor A1 Homo sapiens 225 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317000&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889095 104151361 CHEMBL1087726 ZINC49050478 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573909 Nc1nc2-c3cc(CNN4CCCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C24H25N5O/c25-24-27-21(17-8-4-3-5-9-17)20-22(28-24)19-14-16(10-11-18(19)23(20)30)15-26-29-12-6-1-2-7-13-29/h3-5,8-11,14,26H,1-2,6-7,12-13,15H2,(H2,25,27,28) ICFKXDAXQGMZLR-UHFFFAOYSA-N 50317001 2-amino-8-((azepan-1-ylamino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087727 Adenosine receptor A1 Homo sapiens 114 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317001&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889096 104151362 CHEMBL1087727 ZINC49109811 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573911 Nc1nc2-c3cc(CNN4CCC(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H21N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-12-14(6-7-17(18)22(19)30)13-25-28-10-8-16(29)9-11-28/h1-7,12,25H,8-11,13H2,(H2,24,26,27) GISVDCSZEJJWAS-UHFFFAOYSA-N 50317002 2-amino-8-((4-oxopiperidin-1-ylamino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1099028 Adenosine receptor A1 Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317002&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889097 104151363 CHEMBL1099028 ZINC49112687 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573913 Nc1nc2-c3cc(CNN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C22H21N5O2/c23-22-25-19(15-4-2-1-3-5-15)18-20(26-22)17-12-14(6-7-16(17)21(18)28)13-24-27-8-10-29-11-9-27/h1-7,12,24H,8-11,13H2,(H2,23,25,26) IRZRRGHYHQDDFL-UHFFFAOYSA-N 50317003 2-amino-8-((morpholinoamino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088247 Adenosine receptor A1 Homo sapiens 1.8 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317003&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889098 104151364 CHEMBL1088247 ZINC49793266 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573915 Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C22H21N5O/c23-22-25-19(15-6-2-1-3-7-15)18-20(26-22)17-12-14(8-9-16(17)21(18)28)13-24-27-10-4-5-11-27/h1-3,6-9,12,24H,4-5,10-11,13H2,(H2,23,25,26) CMULQNKJKAJXOM-UHFFFAOYSA-N 50317004 2-amino-4-phenyl-8-((pyrrolidin-1-ylamino)methyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1099368 Adenosine receptor A1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317004&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889125 104151365 CHEMBL1099368 ZINC49048118 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573917 Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1 InChI=1S/C22H20FN5O/c23-15-6-4-14(5-7-15)19-18-20(27-22(24)26-19)17-11-13(3-8-16(17)21(18)29)12-25-28-9-1-2-10-28/h3-8,11,25H,1-2,9-10,12H2,(H2,24,26,27) YYYIDTIJNXZLBB-UHFFFAOYSA-N 50317005 2-amino-4-(4-fluorophenyl)-8-((pyrrolidin-1-ylamino)methyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088533 Adenosine receptor A1 Homo sapiens 66.2 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317005&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889126 104151366 CHEMBL1088533 ZINC49068636 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573919 CN(C)CCN(C)Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 InChI=1S/C23H25N5O/c1-27(2)11-12-28(3)14-15-9-10-17-18(13-15)21-19(22(17)29)20(25-23(24)26-21)16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H2,24,25,26) KQGKBJVLEOOULK-UHFFFAOYSA-N 50317006 2-amino-8-(((2-(dimethylamino)ethyl)(methyl)amino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088683 Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317006&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889127 104151367 CHEMBL1088683 ZINC49067806 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573921 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1 InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18) KHOCZGQEVMEBSV-UHFFFAOYSA-N 50317007 2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095999 Adenosine receptor A1 Homo sapiens 0.4 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317007&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10445452 104151368 CHEMBL1095999 ZINC13982068 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573923 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)o1 InChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19) KWBJJVJTBOQPSD-UHFFFAOYSA-N 50317008 2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1097494 Adenosine receptor A1 Homo sapiens 0.5 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317008&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888889 104151369 CHEMBL1097494 ZINC49784156 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573925 CN(C)CCN(C)c1ccc(o1)-c1nc(N)nc2-c3ccccc3C(=O)c12 InChI=1S/C20H21N5O2/c1-24(2)10-11-25(3)15-9-8-14(27-15)18-16-17(22-20(21)23-18)12-6-4-5-7-13(12)19(16)26/h4-9H,10-11H2,1-3H3,(H2,21,22,23) PYVMVOYKFZPUEW-UHFFFAOYSA-N 50317009 2-amino-4-(5-((2-(dimethylamino)ethyl)(methyl)amino)furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1097495 Adenosine receptor A1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317009&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888890 104151370 CHEMBL1097495 ZINC49113930 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573927 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1cccs1 InChI=1S/C15H9N3OS/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18) DGMVPMHRQUKVSX-UHFFFAOYSA-N 50317010 2-amino-4-(thiophen-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1086846 Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317010&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9970832 104151371 CHEMBL1086846 ZINC34057529 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573929 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1nccs1 InChI=1S/C14H8N4OS/c15-14-17-10-7-3-1-2-4-8(7)12(19)9(10)11(18-14)13-16-5-6-20-13/h1-6H,(H2,15,17,18) CDCCTZJZHTUCLT-UHFFFAOYSA-N 50317011 2-amino-4-(thiazol-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1086847 Adenosine receptor A1 Homo sapiens 6.9 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317011&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888929 104151372 CHEMBL1086847 ZINC49054048 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573931 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccncc1 InChI=1S/C16H10N4O/c17-16-19-13(9-5-7-18-8-6-9)12-14(20-16)10-3-1-2-4-11(10)15(12)21/h1-8H,(H2,17,19,20) QRBNCOAMNHUQFV-UHFFFAOYSA-N 50317012 2-amino-4-(pyridin-4-yl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1086977 Adenosine receptor A1 Homo sapiens 16.4 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317012&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888930 104151373 CHEMBL1086977 ZINC49051832 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573933 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20) UVUYDEPVVFJIAY-UHFFFAOYSA-N 50161342 2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one::2-amino-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL369573 Adenosine receptor A1 Homo sapiens 1.1 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50161342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50161342&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10038941 104047658 CHEMBL369573 ZINC28136015 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573935 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)cc1 InChI=1S/C17H10ClN3O/c18-10-7-5-9(6-8-10)14-13-15(21-17(19)20-14)11-3-1-2-4-12(11)16(13)22/h1-8H,(H2,19,20,21) OFUMHZAEMLRAEP-UHFFFAOYSA-N 50317013 2-amino-4-(4-chlorophenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1096998 Adenosine receptor A1 Homo sapiens 11.6 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317013&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 17035744 104151374 CHEMBL1096998 ZINC20798080 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573937 COc1cccc(c1)-c1nc(N)nc2-c3ccccc3C(=O)c12 InChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21) OSLAUUGEAJFDHJ-UHFFFAOYSA-N 50317014 2-amino-4-(3-methoxyphenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1086978 Adenosine receptor A1 Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317014&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 17035750 104151375 CHEMBL1086978 ZINC12321796 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573939 COc1ccccc1-c1nc(N)nc2-c3ccccc3C(=O)c12 InChI=1S/C18H13N3O2/c1-23-13-9-5-4-8-12(13)16-14-15(20-18(19)21-16)10-6-2-3-7-11(10)17(14)22/h2-9H,1H3,(H2,19,20,21) JROZPIIZGDQZCP-UHFFFAOYSA-N 50317015 2-amino-4-(2-methoxyphenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087869 Adenosine receptor A1 Homo sapiens 172 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317015&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888987 104151376 CHEMBL1087869 ZINC49050508 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573941 CN(C)CCN(C)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12 InChI=1S/C23H25N5O/c1-27(2)12-13-28(3)14-16-10-7-11-17-18(16)21-19(22(17)29)20(25-23(24)26-21)15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3,(H2,24,25,26) YEZQKCLFPQPKCT-UHFFFAOYSA-N 50317016 2-amino-9-(((2-(dimethylamino)ethyl)(methyl)amino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087699 Adenosine receptor A1 Homo sapiens 119 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317016&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888988 104151377 CHEMBL1087699 ZINC49054652 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573943 CCN(CC)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12 InChI=1S/C22H22N4O/c1-3-26(4-2)13-15-11-8-12-16-17(15)20-18(21(16)27)19(24-22(23)25-20)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H2,23,24,25) XBTQUCJTNMIJCS-UHFFFAOYSA-N 50317017 2-amino-9-((diethylamino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087700 Adenosine receptor A1 Homo sapiens 107 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317017&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888989 104151378 CHEMBL1087700 ZINC49054655 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573945 Nc1nc2-c3c(cccc3CN3CCCCC3)C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H22N4O/c24-23-25-20(15-8-3-1-4-9-15)19-21(26-23)18-16(10-7-11-17(18)22(19)28)14-27-12-5-2-6-13-27/h1,3-4,7-11H,2,5-6,12-14H2,(H2,24,25,26) QPEPHZDDNBFIFT-UHFFFAOYSA-N 50317018 2-amino-4-phenyl-9-(piperidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087701 Adenosine receptor A1 Homo sapiens 40.8 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317018&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888990 104151379 CHEMBL1087701 ZINC49109655 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573947 CN1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1 InChI=1S/C23H23N5O/c1-27-10-12-28(13-11-27)14-16-8-5-9-17-18(16)21-19(22(17)29)20(25-23(24)26-21)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H2,24,25,26) SQRIRSLOGNSMSD-UHFFFAOYSA-N 50317019 2-amino-9-((4-methylpiperazin-1-yl)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087702 Adenosine receptor A1 Homo sapiens 94.2 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317019&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888991 104151380 CHEMBL1087702 ZINC49055019 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573949 CC(=O)N1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1 InChI=1S/C24H23N5O2/c1-15(30)29-12-10-28(11-13-29)14-17-8-5-9-18-19(17)22-20(23(18)31)21(26-24(25)27-22)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H2,25,26,27) RTWSXNULYHCUKB-UHFFFAOYSA-N 50317020 9-((4-acetylpiperazin-1-yl)methyl)-2-amino-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087819 Adenosine receptor A1 Homo sapiens 34.1 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317020&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889017 104151381 CHEMBL1087819 ZINC49053085 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573951 Nc1nc2-c3c(cccc3CN3CCCCCC3)C(=O)c2c(n1)-c1ccccc1 InChI=1S/C24H24N4O/c25-24-26-21(16-9-4-3-5-10-16)20-22(27-24)19-17(11-8-12-18(19)23(20)29)15-28-13-6-1-2-7-14-28/h3-5,8-12H,1-2,6-7,13-15H2,(H2,25,26,27) PXTIQIKLYOQPFC-UHFFFAOYSA-N 50317021 2-amino-9-(azepan-1-ylmethyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087820 Adenosine receptor A1 Homo sapiens 95.2 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317021&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889018 104151382 CHEMBL1087820 ZINC49053467 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573953 Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1 InChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25) DBNLJUHBHNYWKM-UHFFFAOYSA-N 50317022 2-amino-9-(morpholinomethyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087462 Adenosine receptor A1 Homo sapiens 32.9 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317022&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861768 104151383 CHEMBL1087462 ZINC49050894 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573955 Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccc(F)cc1 InChI=1S/C22H19FN4O2/c23-15-6-4-13(5-7-15)19-18-20(26-22(24)25-19)17-14(2-1-3-16(17)21(18)28)12-27-8-10-29-11-9-27/h1-7H,8-12H2,(H2,24,25,26) OZBIBCLIRXCJSR-UHFFFAOYSA-N 50317023 2-amino-4-(4-fluorophenyl)-9-(morpholinomethyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087463 Adenosine receptor A1 Homo sapiens 155 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317023&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889019 104151384 CHEMBL1087463 ZINC49051388 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50573957 Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N InChI=1S/C23H19N5O2/c24-12-14-3-1-4-15(11-14)20-19-21(27-23(25)26-20)18-16(5-2-6-17(18)22(19)29)13-28-7-9-30-10-8-28/h1-6,11H,7-10,13H2,(H2,25,26,27) LRLQMZVJBDOPDM-UHFFFAOYSA-N 50317024 3-(2-amino-9-(morpholinomethyl)-5-oxo-5H-indeno[1,2-d]pyrimidin-4-yl)benzonitrile::CHEMBL1087708 Adenosine receptor A1 Homo sapiens 75 ChEMBL 10.1016/j.bmcl.2010.03.042 10.7270/Q2GB246H 20347304 Shook, BC; Rassnick, S; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Scannevin, RH; Magliaro, B; Westover, L; Carroll, K; Lampron, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Li, X; Osbourne, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317024&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46889042 104151385 CHEMBL1087708 ZINC49048066 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575758 CC1(C)N(O)C(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 InChI=1S/C22H30N6O5/c1-21(2)12-6-5-11(7-13(12)22(3,4)28(21)32)26-18-15-19(24-9-23-18)27(10-25-15)20-17(31)16(30)14(8-29)33-20/h5-7,9-10,14,16-18,20,26,29-32H,8H2,1-4H3,(H,23,24)/t14-,16-,17-,18?,20-/m1/s1 NAHFUUVQCVICML-UNZAHYKDSA-N 50317873 (2R,3R,4S,5R)-2-(6-(2-hydroxy-1,1,3,3-tetramethylisoindolin-5-ylamino)-1H-purin-9(6H)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL1097549 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317873&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888222 104152234 CHEMBL1097549 ZINC49113661 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575759 CC1(C)NC(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 InChI=1S/C22H30N6O4/c1-21(2)12-6-5-11(7-13(12)22(3,4)27-21)26-18-15-19(24-9-23-18)28(10-25-15)20-17(31)16(30)14(8-29)32-20/h5-7,9-10,14,16-18,20,26-27,29-31H,8H2,1-4H3,(H,23,24)/t14-,16-,17-,18?,20-/m1/s1 HRXAFROOQYQSCE-UNZAHYKDSA-N 50317874 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(1,1,3,3-tetramethylisoindolin-5-ylamino)-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diol::CHEMBL1098183 Adenosine receptor A1 Homo sapiens 290 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317874&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888223 104152235 CHEMBL1098183 ZINC49088936 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575760 CC1(C)N(O)C(C)(C)c2cc(CNC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 InChI=1S/C23H32N6O5/c1-22(2)13-6-5-12(7-14(13)23(3,4)29(22)33)8-24-19-16-20(26-10-25-19)28(11-27-16)21-18(32)17(31)15(9-30)34-21/h5-7,10-11,15,17-19,21,24,30-33H,8-9H2,1-4H3,(H,25,26)/t15-,17-,18-,19?,21-/m1/s1 BASVHHFDIDWTOR-IWRBAUHTSA-N 50317875 CHEMBL1098184::N6-(1,1,3,3-Tetramethylisoindolin-2-yloxyl-5-ylmethyl)adenosine Adenosine receptor A1 Homo sapiens 1140 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317875&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888224 104152236 CHEMBL1098184 ZINC49088938 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575761 CC1(C)CC(CC(C)(C)N1O)NC1NC=Nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H32N6O5/c1-18(2)5-10(6-19(3,4)25(18)29)23-15-12-16(21-8-20-15)24(9-22-12)17-14(28)13(27)11(7-26)30-17/h8-11,13-15,17,23,26-29H,5-7H2,1-4H3,(H,20,21)/t11-,13-,14-,15?,17-/m1/s1 XEVODUKWVKIYNA-CMBQYPFVSA-N 50317876 (2R,3R,4S,5R)-2-(6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylamino)-1H-purin-9(6H)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL1094353 Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317876&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888225 104152237 CHEMBL1094353 ZINC49069752 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575762 CC1(C)CC(CC(C)(C)N1)NC1NC=Nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H32N6O4/c1-18(2)5-10(6-19(3,4)24-18)23-15-12-16(21-8-20-15)25(9-22-12)17-14(28)13(27)11(7-26)29-17/h8-11,13-15,17,23-24,26-28H,5-7H2,1-4H3,(H,20,21)/t11-,13-,14-,15?,17-/m1/s1 DKHRDORZFAVWEL-CMBQYPFVSA-N 50317877 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(2,2,6,6-tetramethylpiperidin-4-ylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL1098507 Adenosine receptor A1 Homo sapiens 1580 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317877&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888282 104152238 CHEMBL1098507 ZINC49088970 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575763 CC1(C)CC(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(C)(C)N1[O] InChI=1S/C19H29N6O5/c1-18(2)5-10(19(3,4)25(18)29)6-20-15-12-16(22-8-21-15)24(9-23-12)17-14(28)13(27)11(7-26)30-17/h8-11,13-14,17,26-28H,5-7H2,1-4H3,(H,20,21,22)/t10?,11-,13-,14-,17-/m1/s1 QFFVFNDFHJHEHU-QIFOKDCASA-N 50292322 (2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL399774::N6-(2,2,5,5-tetramethylpyrrolidin-1-yloxyl-3-ylmethyl)adenosine::VCP-28 Adenosine receptor A1 Homo sapiens 50 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292322&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44442164 104133873 CHEMBL399774 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575764 CC(C)(C)c1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(c1O)C(C)(C)C InChI=1S/C26H37N5O5/c1-25(2,3)15-9-14(10-16(19(15)33)26(4,5)6)7-8-27-22-18-23(29-12-28-22)31(13-30-18)24-21(35)20(34)17(11-32)36-24/h9-10,12-13,17,20-21,24,32-35H,7-8,11H2,1-6H3,(H,27,28,29)/t17-,20-,21-,24-/m1/s1 PGFWZTBYEKWFGQ-FGSUIDRYSA-N 50317878 CHEMBL1098520::N6-(4-(2-Aminoethyl)-2,6-di-tert-butylphenol)adenosine Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317878&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888283 104152239 CHEMBL1098520 ZINC49088355 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575765 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4c(c3)C(C)(C)N(O)C4(C)C)ncnc12 InChI=1S/C23H29N7O5/c1-22(2)12-7-6-11(8-13(12)23(3,4)30(22)34)28-18-14-19(26-9-25-18)29(10-27-14)21-16(32)15(31)17(35-21)20(33)24-5/h6-10,15-17,21,31-32,34H,1-5H3,(H,24,33)(H,25,26,28)/t15-,16+,17-,21+/m0/s1 ZIRGXBCXQAUFJC-GRXQJBFDSA-N 50317879 CHEMBL1098521::N6-(1,1,3,3-Tetramethylisoindolin-2-yloxyl-5-yl)adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 800 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317879&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888284 104152240 CHEMBL1098521 ZINC49114441 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575766 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4c(c3)C(C)(C)NC4(C)C)ncnc12 InChI=1S/C23H29N7O4/c1-22(2)12-7-6-11(8-13(12)23(3,4)29-22)28-18-14-19(26-9-25-18)30(10-27-14)21-16(32)15(31)17(34-21)20(33)24-5/h6-10,15-17,21,29,31-32H,1-5H3,(H,24,33)(H,25,26,28)/t15-,16+,17-,21+/m0/s1 WSXFELUJSOZSPT-GRXQJBFDSA-N 50317880 CHEMBL1099126::N6-(1,1,3,3-Tetramethylisoindolin-5-yl)adenosine-5'-Nmethylcarboxamide Adenosine receptor A1 Homo sapiens 1170 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317880&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888356 104152241 CHEMBL1099126 ZINC49112944 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575767 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc4c(c3)C(C)(C)N(O)C4(C)C)ncnc12 InChI=1S/C24H31N7O5/c1-23(2)13-7-6-12(8-14(13)24(3,4)31(23)35)9-26-19-15-20(28-10-27-19)30(11-29-15)22-17(33)16(32)18(36-22)21(34)25-5/h6-8,10-11,16-18,22,32-33,35H,9H2,1-5H3,(H,25,34)(H,26,27,28)/t16-,17+,18-,22+/m0/s1 MJLSZOIRUDLRNP-RQXXJAGISA-N 50317881 CHEMBL1099127::N6-(1,1,3,3-Tetramethylisoindolin-2-yloxyl-5-ylmethyl)adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 1290 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317881&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888357 104152242 CHEMBL1099127 ZINC49088235 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575768 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC(C)(C)N(O)C(C)(C)C3)ncnc12 InChI=1S/C20H31N7O5/c1-19(2)6-10(7-20(3,4)27(19)31)25-15-11-16(23-8-22-15)26(9-24-11)18-13(29)12(28)14(32-18)17(30)21-5/h8-10,12-14,18,28-29,31H,6-7H2,1-5H3,(H,21,30)(H,22,23,25)/t12-,13+,14-,18+/m0/s1 NLPVVOHNKQTUQS-MOROJQBDSA-N 50317882 CHEMBL1099128::N6-(2,2,6,6-Tetramethylpiperidin-1-yloxyl-4-yl)adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 1890 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317882&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888358 104152243 CHEMBL1099128 ZINC49088236 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575769 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC(C)(C)NC(C)(C)C3)ncnc12 InChI=1S/C20H31N7O4/c1-19(2)6-10(7-20(3,4)26-19)25-15-11-16(23-8-22-15)27(9-24-11)18-13(29)12(28)14(31-18)17(30)21-5/h8-10,12-14,18,26,28-29H,6-7H2,1-5H3,(H,21,30)(H,22,23,25)/t12-,13+,14-,18+/m0/s1 OYJBZMCKPSCQMA-MOROJQBDSA-N 50317883 CHEMBL1099129::N6-(2,2,6,6-Tetramethylpiperidin-4-yl)adenosine-5'-Nmethylcarboxamide Adenosine receptor A1 Homo sapiens 960 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317883&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46888359 104152244 CHEMBL1099129 ZINC49793115 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575770 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC(C)(C)N(O)C3(C)C)ncnc12 InChI=1S/C20H31N7O5/c1-19(2)6-10(20(3,4)27(19)31)7-22-15-11-16(24-8-23-15)26(9-25-11)18-13(29)12(28)14(32-18)17(30)21-5/h8-10,12-14,18,28-29,31H,6-7H2,1-5H3,(H,21,30)(H,22,23,24)/t10?,12-,13+,14-,18+/m0/s1 UHDBGOGRGCQKJI-OABGOMCZSA-N 50317884 CHEMBL1098400::N6-(2,2,5,5-Tetramethylpyrrolidin-1-yloxyl-3-ylmethyl)adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 570 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317884&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46887667 104152245 CHEMBL1098400 ZINC49116437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575771 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)ncnc12 InChI=1S/C27H38N6O5/c1-26(2,3)15-10-14(11-16(18(15)34)27(4,5)6)8-9-29-22-17-23(31-12-30-22)33(13-32-17)25-20(36)19(35)21(38-25)24(37)28-7/h10-13,19-21,25,34-36H,8-9H2,1-7H3,(H,28,37)(H,29,30,31)/t19-,20+,21-,25+/m0/s1 TWCLKOCYGIQUJU-UGCAPWQASA-N 50317885 CHEMBL1098715::N6-(3,5-Di-tert-butyl-4-hydroxyphenethyl)adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 620 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317885&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46887668 104152246 CHEMBL1098715 ZINC49802605 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575778 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 InChI=1S/C34H43N7O6/c1-33(2,3)21-14-19(15-22(24(21)42)34(4,5)6)30(45)36-13-12-18-8-10-20(11-9-18)40-28-23-29(38-16-37-28)41(17-39-23)32-26(44)25(43)27(47-32)31(46)35-7/h8-11,14-17,25-27,32,42-44H,12-13H2,1-7H3,(H,35,46)(H,36,45)(H,37,38,40)/t25-,26+,27-,32+/m0/s1 OGBVWZFRPYZBJN-ACIRYHQQSA-N 50317886 CHEMBL1094994::N6-[4-[2-[3,5-Di-tert-butyl-4-hydroxybenzamido]ethyl]phenyl]adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 243 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317886&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46887669 104152247 CHEMBL1094994 ZINC49802789 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575779 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 InChI=1S/C34H43N7O5/c1-33(2,3)21-14-20(15-22(16-21)34(4,5)6)30(44)36-13-12-19-8-10-23(11-9-19)40-28-24-29(38-17-37-28)41(18-39-24)32-26(43)25(42)27(46-32)31(45)35-7/h8-11,14-18,25-27,32,42-43H,12-13H2,1-7H3,(H,35,45)(H,36,44)(H,37,38,40)/t25-,26+,27-,32+/m0/s1 ORHQWTJAQBOXCQ-ACIRYHQQSA-N 50317887 CHEMBL1094995::N6-[4-[2-[3,5-di-tert-butylbenzamido]ethyl]phenyl]adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 245 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317887&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861670 104152248 CHEMBL1094995 ZINC49783831 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575780 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)ncnc12 InChI=1S/C29H33N7O8/c1-30-28(40)24-21(37)22(38)29(44-24)36-14-34-20-25(32-13-33-26(20)36)35-17-7-5-15(6-8-17)9-10-31-27(39)16-11-18(41-2)23(43-4)19(12-16)42-3/h5-8,11-14,21-22,24,29,37-38H,9-10H2,1-4H3,(H,30,40)(H,31,39)(H,32,33,35)/t21-,22+,24-,29+/m0/s1 RDVQSQJTFHUBPJ-UKNKTOQLSA-N 50317888 CHEMBL1094996::N6-[4-[2-[3,4,5-Trimethoxybenzamido]ethyl]phenyl]adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 26.2 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317888&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861671 104152249 CHEMBL1094996 ZINC49777807 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575781 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4ccc5c(c4)C(C)(C)N(O)C5(C)C)cc3)ncnc12 InChI=1S/C32H38N8O6/c1-31(2)20-11-8-18(14-21(20)32(3,4)40(31)45)28(43)34-13-12-17-6-9-19(10-7-17)38-26-22-27(36-15-35-26)39(16-37-22)30-24(42)23(41)25(46-30)29(44)33-5/h6-11,14-16,23-25,30,41-42,45H,12-13H2,1-5H3,(H,33,44)(H,34,43)(H,35,36,38)/t23-,24+,25-,30+/m0/s1 VFRYUPJLXIQNST-YDXRHMNESA-N 50317889 CHEMBL1094997::N6-[4-[2-[1,1,3,3-Tetramethylisoindolin-2-yloxyl-5-amido]ethyl]phenyl]adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 53.1 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317889&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46887670 104152250 CHEMBL1094997 ZINC49784860 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575782 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 InChI=1S/C34H43N7O6/c1-33(2,3)21-12-20(13-22(24(21)42)34(4,5)6)30(45)37-15-19-10-8-18(9-11-19)14-36-28-23-29(39-16-38-28)41(17-40-23)32-26(44)25(43)27(47-32)31(46)35-7/h8-13,16-17,25-27,32,42-44H,14-15H2,1-7H3,(H,35,46)(H,37,45)(H,36,38,39)/t25-,26+,27-,32+/m0/s1 CAPBGGGWABFJCR-ACIRYHQQSA-N 50317890 CHEMBL1094998::N6-[4-[2-[3,5-Di-tert-butyl-4-hydroxybenzamido]ethyl]benzyl]adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 105 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317890&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46861672 104152251 CHEMBL1094998 ZINC49777904 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50575783 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 InChI=1S/C34H43N7O5/c1-33(2,3)22-12-21(13-23(14-22)34(4,5)6)30(44)37-16-20-10-8-19(9-11-20)15-36-28-24-29(39-17-38-28)41(18-40-24)32-26(43)25(42)27(46-32)31(45)35-7/h8-14,17-18,25-27,32,42-43H,15-16H2,1-7H3,(H,35,45)(H,37,44)(H,36,38,39)/t25-,26+,27-,32+/m0/s1 CUFYDFNIWQIZRU-ACIRYHQQSA-N 50317891 CHEMBL1094999::N6-[4-[2-[3,5-Di-tert-butylbenzamido]ethyl]benzyl]adenosine-5'-N-methylcarboxamide Adenosine receptor A1 Homo sapiens 128 ChEMBL 10.1016/j.bmc.2010.03.047 10.7270/Q2X63N4V 20385496 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Monash University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317891&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46887671 104152252 CHEMBL1094999 ZINC49783832 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592502 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ IQVRBWUUXZMOPW-PKNBQFBNSA-N 50176050 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione::8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione::CHEMBL431770::istradefylline Adenosine receptor A1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176050&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search JQ9 8GNG 5311037 104061724 CHEMBL431770 5608 ZINC03803921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592503 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) DTYWJKSSUANMHD-UHFFFAOYSA-N 50202986 2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL240624::SCH-420814::US11440916, Preladenant::US11472811, Example Preladenant::preladenant Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10117987 104082355 CHEMBL240624 5614 ZINC53006885 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592504 CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 InChI=1S/C17H14N2O4S/c1-2-22-16(21)14-13(11-7-4-3-5-8-11)18-17(24-14)19-15(20)12-9-6-10-23-12/h3-10H,2H2,1H3,(H,18,19,20) RGLCSVSNNAHOSL-UHFFFAOYSA-N 50324967 2-[(Furan-2-carbonyl)-amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester::CHEMBL1222145 Adenosine receptor A1 Homo sapiens 95 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324967&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 747391 117646288 CHEMBL1222145 ZINC00192156 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592505 CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1 InChI=1S/C17H16N2O3S/c1-2-21-11-14-15(12-7-4-3-5-8-12)18-17(23-14)19-16(20)13-9-6-10-22-13/h3-10H,2,11H2,1H3,(H,18,19,20) GQUGZFLBFPOQQC-UHFFFAOYSA-N 50324969 CHEMBL1222242::Furan-2-carboxylic acid(5-ethoxymethyl-4-phenyl-thiazol-2-yl)-amide Adenosine receptor A1 Homo sapiens 92 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324969&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49864673 117646290 CHEMBL1222242 ZINC58582100 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592506 Cc1nc(no1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 InChI=1S/C17H12N4O3S/c1-10-18-15(21-24-10)14-13(11-6-3-2-4-7-11)19-17(25-14)20-16(22)12-8-5-9-23-12/h2-9H,1H3,(H,19,20,22) WVBMLCFPIVQVSC-UHFFFAOYSA-N 50324970 CHEMBL1222246::Furan-2-carboxylic acid[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-amide Adenosine receptor A1 Homo sapiens 780 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324970&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49864677 117646291 CHEMBL1222246 ZINC58581651 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592507 Cc1nc(no1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 InChI=1S/C16H14N4O2S/c1-9-17-14(20-22-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-15(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21) GINNJZRPRVSARM-UHFFFAOYSA-N 50324972 CHEMBL1222303::Cyclopropanecarboxylic acid[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-amide Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324972&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11638430 117646293 CHEMBL1222303 ZINC35978560 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592508 CC(C)CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1 InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)23-21-16/h4-8,10H,9H2,1-3H3,(H,19,20,22) HUQKHKNVVBHZSD-UHFFFAOYSA-N 50324973 3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-butyramide::CHEMBL1222304 Adenosine receptor A1 Homo sapiens 82 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324973&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11573708 117646294 CHEMBL1222304 ZINC35845920 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592509 Cc1nc(no1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 InChI=1S/C20H16N4O2S/c1-13-21-19(24-26-13)18-17(15-10-6-3-7-11-15)23-20(27-18)22-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,25) BRLKYKRCBSWGPU-UHFFFAOYSA-N 50324975 CHEMBL1222306::N-[5-(5-Methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-2-phenyl-acetamide Adenosine receptor A1 Homo sapiens 260 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11667956 117646296 CHEMBL1222306 ZINC38215134 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592510 O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccco1 InChI=1S/C16H10N4O3S/c21-15(11-7-4-8-22-11)19-16-18-12(10-5-2-1-3-6-10)13(24-16)14-17-9-23-20-14/h1-9H,(H,18,19,21) GLTUZWSPKSCCFX-UHFFFAOYSA-N 50324976 CHEMBL1222369::Furan-2-carboxylic acid(5-[1,2,4]oxadiazol-3-yl-4-phenyl-thiazol-2-yl)-amide Adenosine receptor A1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324976&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49864730 117646297 CHEMBL1222369 ZINC58581910 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592511 O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)C1CC1 InChI=1S/C15H12N4O2S/c20-14(10-6-7-10)18-15-17-11(9-4-2-1-3-5-9)12(22-15)13-16-8-21-19-13/h1-5,8,10H,6-7H2,(H,17,18,20) WBCDSCLOXKDRCV-UHFFFAOYSA-N 50324977 CHEMBL1222370::Cyclopropanecarboxylic acid(5-[1,2,4]oxadiazol-3-yl-4-phenyl-thiazol-2-yl)-amide Adenosine receptor A1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324977&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11674018 117646298 CHEMBL1222370 ZINC38219809 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592512 CC(C)CC(=O)Nc1nc(c(s1)-c1ncon1)-c1ccccc1 InChI=1S/C16H16N4O2S/c1-10(2)8-12(21)18-16-19-13(11-6-4-3-5-7-11)14(23-16)15-17-9-22-20-15/h3-7,9-10H,8H2,1-2H3,(H,18,19,21) OZCSFIXYRIPWAT-UHFFFAOYSA-N 50324978 3-Methyl-N-(5-[1,2,4]oxadiazol-3-yl-4-phenyl-thiazol-2-yl)-butyramide::CHEMBL1222371 Adenosine receptor A1 Homo sapiens 77 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324978&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49864731 117646299 CHEMBL1222371 ZINC58575912 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592513 O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccccc1 InChI=1S/C18H12N4O2S/c23-17(13-9-5-2-6-10-13)21-18-20-14(12-7-3-1-4-8-12)15(25-18)16-19-11-24-22-16/h1-11H,(H,20,21,23) DFUBNVFLZDNIPO-UHFFFAOYSA-N 50324979 CHEMBL1222372::N-(5-[1,2,4]Oxadiazol-3-yl-4-phenyl-thiazol-2-yl)-benzamide Adenosine receptor A1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324979&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49864732 117646300 CHEMBL1222372 ZINC58592442 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592514 O=C(Cc1ccccc1)Nc1nc(c(s1)-c1ncon1)-c1ccccc1 InChI=1S/C19H14N4O2S/c24-15(11-13-7-3-1-4-8-13)21-19-22-16(14-9-5-2-6-10-14)17(26-19)18-20-12-25-23-18/h1-10,12H,11H2,(H,21,22,24) ZIDYBSALYYKKJE-UHFFFAOYSA-N 50324980 CHEMBL1222373::N-(5-[1,2,4]Oxadiazol-3-yl-4-phenyl-thiazol-2-yl)-2-phenyl-acetamide Adenosine receptor A1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324980&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49864733 117646301 CHEMBL1222373 ZINC58592444 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592515 Cc1noc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 InChI=1S/C17H12N4O3S/c1-10-18-16(24-21-10)14-13(11-6-3-2-4-7-11)19-17(25-14)20-15(22)12-8-5-9-23-12/h2-9H,1H3,(H,19,20,22) DLZCZGZCBOABLZ-UHFFFAOYSA-N 50324981 CHEMBL1221455::Furan-2-carboxylic acid[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-amide Adenosine receptor A1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324981&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11703084 117646302 CHEMBL1221455 ZINC38278798 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592516 CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1 InChI=1S/C14H12N4O2S/c1-8-15-13(20-18-8)12-11(10-6-4-3-5-7-10)17-14(21-12)16-9(2)19/h3-7H,1-2H3,(H,16,17,19) YTYHMGOWKQWFEY-UHFFFAOYSA-N 50324982 CHEMBL1221456::N-[5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-acetamide Adenosine receptor A1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324982&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11580284 117646303 CHEMBL1221456 ZINC35856798 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592517 Cc1noc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 InChI=1S/C16H14N4O2S/c1-9-17-15(22-20-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-14(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21) LEMHEWSZQBDQCZ-UHFFFAOYSA-N 50324983 CHEMBL1221457::Cyclopropanecarboxylic acid[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-amide Adenosine receptor A1 Homo sapiens 41 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324983&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11609536 117646304 CHEMBL1221457 ZINC35929977 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592518 CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1 InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)21-23-16/h4-8,10H,9H2,1-3H3,(H,19,20,22) MLURKVCBYPYHPF-UHFFFAOYSA-N 50324984 3-Methyl-N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-butyramide::CHEMBL1221458 Adenosine receptor A1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324984&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11631512 117646305 CHEMBL1221458 ZINC35965794 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592519 Cc1noc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 InChI=1S/C19H14N4O2S/c1-12-20-18(25-23-12)16-15(13-8-4-2-5-9-13)21-19(26-16)22-17(24)14-10-6-3-7-11-14/h2-11H,1H3,(H,21,22,24) VXICBIKGZNYPSZ-UHFFFAOYSA-N 50324985 CHEMBL1221459::N-[5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-benzamide Adenosine receptor A1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324985&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11639132 117646306 CHEMBL1221459 ZINC35982807 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592520 Cc1noc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 InChI=1S/C20H16N4O2S/c1-13-21-19(26-24-13)18-17(15-10-6-3-7-11-15)23-20(27-18)22-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,25) DNZVZJABDLWHPR-UHFFFAOYSA-N 50324986 CHEMBL1221504::N-[5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-2-phenyl-acetamide Adenosine receptor A1 Homo sapiens 340 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11667955 117646307 CHEMBL1221504 ZINC38215133 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592521 CCn1nnc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 InChI=1S/C17H14N6O2S/c1-2-23-21-15(20-22-23)14-13(11-7-4-3-5-8-11)18-17(26-14)19-16(24)12-9-6-10-25-12/h3-10H,2H2,1H3,(H,18,19,24) SKRPIZKCJOMGQH-UHFFFAOYSA-N 50324987 CHEMBL1221505::Furan-2-carboxylic acid[5-(2-ethyl-2H-tetrazol-5-yl)-4-phenyl-thiazol-2-yl]-amide Adenosine receptor A1 Homo sapiens 650 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324987&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11632013 117646308 CHEMBL1221505 ZINC35966791 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592522 CCn1nnc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 InChI=1S/C16H16N6OS/c1-2-22-20-14(19-21-22)13-12(10-6-4-3-5-7-10)17-16(24-13)18-15(23)11-8-9-11/h3-7,11H,2,8-9H2,1H3,(H,17,18,23) DIDLQFLXXMMQHA-UHFFFAOYSA-N 50324988 CHEMBL1221506::Cyclopropanecarboxylic acid[5-(2-ethyl-2H-tetrazol-5-yl)-4-phenyl-thiazol-2-yl]-amide Adenosine receptor A1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324988&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11595292 117646309 CHEMBL1221506 ZINC35899956 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592523 CCn1nnc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 InChI=1S/C20H18N6OS/c1-2-26-24-19(23-25-26)18-17(15-11-7-4-8-12-15)22-20(28-18)21-16(27)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,21,22,27) KHMFSOLNZRDVII-UHFFFAOYSA-N 50324990 CHEMBL1221508::N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-phenyl-thiazol-2-yl]-2-phenyl-acetamide Adenosine receptor A1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324990&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49864320 117646311 CHEMBL1221508 ZINC58582895 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592524 CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1 InChI=1S/C22H22N6O3S/c1-4-28-26-21(25-27-28)20-19(15-8-6-5-7-9-15)24-22(32-20)23-18(29)13-14-10-11-16(30-2)17(12-14)31-3/h5-12H,4,13H2,1-3H3,(H,23,24,29) SZZOCASQZRDVMZ-UHFFFAOYSA-N 50324991 2-(3,4-Dimethoxy-phenyl)-N-[5-(2-ethyl-2H-tetrazol-5-yl)-4-phenyl-thiazol-2-yl]-acetamide::CHEMBL1222587 Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324991&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11597583 117646312 CHEMBL1222587 ZINC35902501 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50592526 CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 InChI=1S/C18H16N2O3S/c1-2-7-13(21)16-15(12-8-4-3-5-9-12)19-18(24-16)20-17(22)14-10-6-11-23-14/h3-6,8-11H,2,7H2,1H3,(H,19,20,22) FHLNGEZXUGAKSM-UHFFFAOYSA-N 50324968 CHEMBL1222241::Furan-2-carboxylic acid(5-butyryl-4-phenyl-thiazol-2-yl)-amide Adenosine receptor A1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2010.06.138 10.7270/Q2BP02Z0 20659802 Sams, AG; Mikkelsen, GK; Larsen, M; Torup, L; Brennum, LT; Schroder, TJ; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324968&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49864672 117646289 CHEMBL1222241 ZINC58582480 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50599995 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O2S/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 QMJFSSNSVVHFPD-IXPVHAAZSA-N 50214974 (2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)tetrahydrothiophene3,4-diol::(2R,3R,4S)-2-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL413686 Adenosine receptor A1 Homo sapiens 2490 ChEMBL 10.1016/j.bmc.2010.08.018 10.7270/Q21N81CV 20826090 Lee, HW; Kim, HO; Choi, WJ; Choi, S; Lee, JH; Park, SG; Yoo, L; Jacobson, KA; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214974&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16220189 104089791 CHEMBL413686 ZINC28656123 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586545 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27) DBWQRFKXNBVPGA-UHFFFAOYSA-N 50229885 CHEMBL260331::CHEMBL506685::N-(benzo[d][1,3]dioxol-5-yl)-2-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy)acetamide::N-Benzo[1,3]dioxol-5-yl-2-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetamide Adenosine receptor A1 Homo sapiens 200 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229885&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44451245 104098216 CHEMBL506685CHEMBL260331 390 ZINC13559747 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586549 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31) HWHLLTUJISZFDN-UHFFFAOYSA-N 50233086 8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252048::CVT-6694 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233086&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10226014 104055652 CHEMBL252048 ZINC29037323 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586553 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C18H15F3N6O2/c1-2-27-16(28)13-15(25-17(27)29)24-14(23-13)11-7-22-26(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,2,8H2,1H3,(H,23,24)(H,25,29) OFXKKKKJJGJUBD-UHFFFAOYSA-N 50233088 1-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251876::CVT-7124 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233088&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11774068 104055654 CHEMBL251876 ZINC29037283 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586557 CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C22H21F3N6O2/c1-2-30-19-17(20(32)31(21(30)33)11-13-6-7-13)27-18(28-19)15-9-26-29(12-15)10-14-4-3-5-16(8-14)22(23,24)25/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,27,28) UVHMEKJMMZTAPE-UHFFFAOYSA-N 50322843 1-(cyclopropylmethyl)-3-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::8-(1-(3-(trifluoromethyl)benzyl)-1-pyrazol-4-yl)-1-(cyclopropylmethyl)-3-ethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL411452 Adenosine receptor A1 Homo sapiens 218 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322843&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21916394 117644164 CHEMBL411452 ZINC29055480 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586561 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cn[nH]c1 InChI=1S/C13H16N6O2/c1-3-5-19-12(20)9-11(18(4-2)13(19)21)17-10(16-9)8-6-14-15-7-8/h6-7H,3-5H2,1-2H3,(H,14,15)(H,16,17) MVDURWNMLXKWGS-UHFFFAOYSA-N 50322844 3-ethyl-1-propyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL405901 Adenosine receptor A1 Homo sapiens 178 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322844&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21958762 117644165 CHEMBL405901 ZINC29055636 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586564 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C20H19F3N6O2/c1-3-7-29-18(30)15-17(27(2)19(29)31)26-16(25-15)13-9-24-28(11-13)10-12-5-4-6-14(8-12)20(21,22)23/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,25,26) BWVLVKYENDCAHC-UHFFFAOYSA-N 50322845 3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-3-methyl-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL260975 Adenosine receptor A1 Homo sapiens 441 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322845&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11568203 117644166 CHEMBL260975 ZINC29055920 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586568 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1 InChI=1S/C18H19N7O2/c1-3-8-24-17(26)14-16(23(4-2)18(24)27)22-15(21-14)12-9-20-25(11-12)13-6-5-7-19-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,22) ODPMHVSWDDFIKK-UHFFFAOYSA-N 50322846 3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::3-ethyl-1-propyl-8-(1-(pyridin-3-yl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL261526 Adenosine receptor A1 Homo sapiens 522 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322846&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 24827444 117644167 CHEMBL261526 ZINC29056650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586571 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1 InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29) QUPSOSYMAZFQHU-UHFFFAOYSA-N 50188569 8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL378598 Adenosine receptor A1 Homo sapiens 1200 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188569&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9870396 104072354 CHEMBL378598 ZINC34001287 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586574 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 0.9 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586584 Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C14H10FN7O/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19) YKXAXNRPKPCUCH-UHFFFAOYSA-N 50254264 3-(2-Fluorobenzyl)-7-(2-oxazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::3-(2-fluorobenzyl)-7-(oxazol-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine::CHEMBL468701 Adenosine receptor A1 Homo sapiens 599 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254264&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 25188209 104106535 CHEMBL468701 ZINC40401945 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586588 Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C13H10FN9/c14-9-4-2-1-3-8(9)5-22-11-10(20-21-22)12(19-13(15)18-11)23-7-16-6-17-23/h1-4,6-7H,5H2,(H2,15,18,19) VKUZVOQBVAZHER-UHFFFAOYSA-N 50322848 3-(2-fluorobenzyl)-7-(1H-1,2,4-triazol-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine::CHEMBL1210734 Adenosine receptor A1 Homo sapiens 2965 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322848&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49863226 117644169 CHEMBL1210734 ZINC58603455 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586592 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)C#N)c2n1 InChI=1S/C16H11N7O/c17-8-10-3-5-11(6-4-10)9-23-15-14(21-22-23)13(19-16(18)20-15)12-2-1-7-24-12/h1-7H,9H2,(H2,18,19,20) WIHSJLOSNYAKOB-UHFFFAOYSA-N 50254006 3-(4-Cyanobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::4-((5-amino-7-(furan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl)benzonitrile::CHEMBL461007 Adenosine receptor A1 Homo sapiens 738 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254006&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10267860 104106397 CHEMBL461007 ZINC38441143 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586596 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(O)=O)c2n1 InChI=1S/C16H12N6O3/c17-16-18-12(11-5-2-6-25-11)13-14(19-16)22(21-20-13)8-9-3-1-4-10(7-9)15(23)24/h1-7H,8H2,(H,23,24)(H2,17,18,19) ZAHCXPSOPNDRKR-UHFFFAOYSA-N 50254305 3-((5-amino-7-(furan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl)benzoic acid::3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)benzoic Acid::CHEMBL461656 Adenosine receptor A1 Homo sapiens 4143 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254305&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 21874755 104106561 CHEMBL461656 ZINC40873834 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586600 CC(C)Cn1c(Br)nc2c(N)ncnc12 InChI=1S/C9H12BrN5/c1-5(2)3-15-8-6(14-9(15)10)7(11)12-4-13-8/h4-5H,3H2,1-2H3,(H2,11,12,13) RLPKQFORPDRBQT-UHFFFAOYSA-N 50256950 8-Bromo-9-isobutyl-9H-adenine::8-bromo-9-isobutyl-9H-purin-6-amine::CHEMBL474207 Adenosine receptor A1 Homo sapiens 4900 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256950&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44572355 104108248 CHEMBL474207 ZINC40898117 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586604 Nc1ncnc2n(CCO)c(Br)nc12 InChI=1S/C7H8BrN5O/c8-7-12-4-5(9)10-3-11-6(4)13(7)1-2-14/h3,14H,1-2H2,(H2,9,10,11) HPCQLQBYCLLETI-UHFFFAOYSA-N 50257051 2-(6-amino-8-bromo-9H-purin-9-yl)ethanol::8-Bromo-9-(2-hydroxyethyl)-9H-adenine::CHEMBL474058 Adenosine receptor A1 Homo sapiens 1500 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257051&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44572469 104108322 CHEMBL474058 ZINC40913617 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586614 CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1 InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35) MIUCZFWBCFZKEU-UHFFFAOYSA-N 50268107 CHEMBL485862::CHEMBL500634::N-(2-(2-phenyl-6-(4-(3-phenylpropyl)piperazine-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl)acetamide::OSIP-339391 Adenosine receptor A1 Homo sapiens 450 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268107&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5311041 104114686 CHEMBL500634CHEMBL485862 454 ZINC53175300 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586618 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33) HHNGYTVWOXXKET-UHFFFAOYSA-N 50190709 8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-propyl-1H-purine-2,6(3H,7H)-dione::8-[4-(4-benzylpiperazide-1-sulfonyl)phenyl]-1-propylxanthine::CHEMBL212625 Adenosine receptor A1 Homo sapiens 2070 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190709&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11605883 104073919 CHEMBL212625 ZINC35923133 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586622 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28) MQFLPQUECNRXNT-UHFFFAOYSA-N 50190706 8-[4-(benzylamidosulfonyl)phenyl]-1-propylxanthine::CHEMBL209230::N-benzyl-4-(2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonamide Adenosine receptor A1 Homo sapiens 54.8 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190706&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11690712 104073916 CHEMBL209230 ZINC36273955 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586628 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1 InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) ZKUCFFYOQOJLGT-UHFFFAOYSA-N 50086173 CHEMBL17002::N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (0.23H2O)::N-(4-acetylphenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 157 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5139184 103985565 CHEMBL17002 3287 ZINC01490517 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586632 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 InChI=1S/C33H35N5O4/c1-3-19-37-31-29(32(40)38(20-4-2)33(37)41)34-30(35-31)26-15-17-27(18-16-26)42-23-28(39)36(21-24-11-7-5-8-12-24)22-25-13-9-6-10-14-25/h5-18H,3-4,19-23H2,1-2H3,(H,34,35) HMEDGXBEDQKBKZ-UHFFFAOYSA-N 50086176 CHEMBL275149::N,N-Dibenzyl-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N,N-dibenzyl-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 690 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086176&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9850900 103985568 CHEMBL275149 ZINC34800557 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586636 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 403 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50586640 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 InChI=1S/C25H26IN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) PSKLSICGXZNEBV-UHFFFAOYSA-N 50086165 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)-N-(4-iodophenyl)acetamide::2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-iodo-phenyl)-acetamide (0.60CH3OH)::CHEMBL278039 Adenosine receptor A1 Homo sapiens 293 ChEMBL 10.1016/j.ejmech.2010.04.039 10.7270/Q2K074GG 20537438 Cheng, F; Xu, Z; Liu, G; Tang, Y East China University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086165&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11801496 103985557 CHEMBL278039 ZINC34800559 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50587183 CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22) CQUWKHKELQQYRI-UHFFFAOYSA-N 50323040 1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylaminocarbonyl)oxime::CHEMBL1210154 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.050 10.7270/Q24Q7V5B 20591666 Gattinoni, S; Simone, CD; Dallavalle, S; Fezza, F; Nannei, R; Battista, N; Minetti, P; Quattrociocchi, G; Caprioli, A; Borsini, F; Cabri, W; Penco, S; Merlini, L; Maccarrone, M Università degli Studi di Milano http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323040&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44469677 117644361 CHEMBL1210154 ZINC58487725 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600509 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(cc2)C(C)=O)c(c1)C(O)=O InChI=1S/C27H25N3O4/c1-16-7-5-6-8-24(16)30-26(28-23-14-13-21(34-4)15-22(23)27(32)33)25(17(2)29-30)20-11-9-19(10-12-20)18(3)31/h5-15,28H,1-4H3,(H,32,33) HFHYMWKJTKTNGW-UHFFFAOYSA-N 50327324 2-(4-(4-acetylphenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1257702 Adenosine receptor A1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327324&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52941463 123106439 CHEMBL1257702 ZINC64526895 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600510 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(C)cc2)c(c1)C(O)=O InChI=1S/C26H25N3O3/c1-16-9-11-19(12-10-16)24-18(3)28-29(23-8-6-5-7-17(23)2)25(24)27-22-14-13-20(32-4)15-21(22)26(30)31/h5-15,27H,1-4H3,(H,30,31) ZJCDMXDJVDYMRY-UHFFFAOYSA-N 50327325 5-methoxy-2-(3-methyl-1-o-tolyl-4-p-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1257703 Adenosine receptor A1 Homo sapiens 3.16 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327325&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52942696 123106440 CHEMBL1257703 ZINC64526896 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600511 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(C)c(C)c2)c(c1)C(O)=O InChI=1S/C27H27N3O3/c1-16-10-11-20(14-18(16)3)25-19(4)29-30(24-9-7-6-8-17(24)2)26(25)28-23-13-12-21(33-5)15-22(23)27(31)32/h6-15,28H,1-5H3,(H,31,32) BMQFJUXZYXMQRU-UHFFFAOYSA-N 50327326 2-(4-(3,4-dimethylphenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1257825 Adenosine receptor A1 Homo sapiens 568 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327326&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52940754 123106441 CHEMBL1257825 ZINC64540190 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600512 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(F)cc2)c(c1)C(O)=O InChI=1S/C25H22FN3O3/c1-15-6-4-5-7-22(15)29-24(23(16(2)28-29)17-8-10-18(26)11-9-17)27-21-13-12-19(32-3)14-20(21)25(30)31/h4-14,27H,1-3H3,(H,30,31) RXDUDOIUDWHIEC-UHFFFAOYSA-N 50327327 2-(4-(4-fluorophenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1257826 Adenosine receptor A1 Homo sapiens 1.39 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327327&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52943163 123106442 CHEMBL1257826 ZINC64527397 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600513 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(F)c(F)c2)c(c1)C(O)=O InChI=1S/C25H21F2N3O3/c1-14-6-4-5-7-22(14)30-24(28-21-11-9-17(33-3)13-18(21)25(31)32)23(15(2)29-30)16-8-10-19(26)20(27)12-16/h4-13,28H,1-3H3,(H,31,32) FFLYKJNMOJIBTO-UHFFFAOYSA-N 50327328 2-(4-(3,4-difluorophenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1257941 Adenosine receptor A1 Homo sapiens 294 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327328&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52945627 123106443 CHEMBL1257941 ZINC64548326 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600514 COc1ccc(cc1)-c1c(C)nn(c1Nc1ccc(OC)cc1C(O)=O)-c1ccccc1C InChI=1S/C26H25N3O4/c1-16-7-5-6-8-23(16)29-25(27-22-14-13-20(33-4)15-21(22)26(30)31)24(17(2)28-29)18-9-11-19(32-3)12-10-18/h5-15,27H,1-4H3,(H,30,31) AKFTWGIHLCFSSO-UHFFFAOYSA-N 50327329 5-methoxy-2-(4-(4-methoxyphenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1257942 Adenosine receptor A1 Homo sapiens 306 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327329&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52941986 123106444 CHEMBL1257942 ZINC64548344 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600515 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(OC)c(OC)c2)c(c1)C(O)=O InChI=1S/C27H27N3O5/c1-16-8-6-7-9-22(16)30-26(28-21-12-11-19(33-3)15-20(21)27(31)32)25(17(2)29-30)18-10-13-23(34-4)24(14-18)35-5/h6-15,28H,1-5H3,(H,31,32) SAFZBIISIBSLCU-UHFFFAOYSA-N 50327330 2-(4-(3,4-dimethoxyphenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1258052 Adenosine receptor A1 Homo sapiens 233 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327330&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52947034 123106445 CHEMBL1258052 ZINC64539231 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600516 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCOc3c2)c(c1)C(O)=O InChI=1S/C26H23N3O5/c1-15-6-4-5-7-21(15)29-25(27-20-10-9-18(32-3)13-19(20)26(30)31)24(16(2)28-29)17-8-11-22-23(12-17)34-14-33-22/h4-13,27H,14H2,1-3H3,(H,30,31) JQCWRBJAPKWIEW-UHFFFAOYSA-N 50327331 2-(4-(benzo[d][1,3]dioxol-5-yl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1258053 Adenosine receptor A1 Homo sapiens 231 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327331&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52942160 123106446 CHEMBL1258053 ZINC64539232 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600517 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCCOc3c2)c(c1)C(O)=O InChI=1S/C27H25N3O5/c1-16-6-4-5-7-22(16)30-26(28-21-10-9-19(33-3)15-20(21)27(31)32)25(17(2)29-30)18-8-11-23-24(14-18)35-13-12-34-23/h4-11,14-15,28H,12-13H2,1-3H3,(H,31,32) PVIOPFGRAVVJCG-UHFFFAOYSA-N 50327332 2-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1258169 Adenosine receptor A1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327332&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52941354 123106447 CHEMBL1258169 ZINC64548319 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600518 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3nccnc3c2)c(c1)C(O)=O InChI=1S/C27H23N5O3/c1-16-6-4-5-7-24(16)32-26(30-21-11-9-19(35-3)15-20(21)27(33)34)25(17(2)31-32)18-8-10-22-23(14-18)29-13-12-28-22/h4-15,30H,1-3H3,(H,33,34) MCOJHKJMTCBWSD-UHFFFAOYSA-N 50327333 5-methoxy-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258170 Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327333&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52946211 123106448 CHEMBL1258170 ZINC64548320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600519 Cc1nn(c(Nc2ccc(Cl)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C InChI=1S/C26H20ClN5O2/c1-15-5-3-4-6-23(15)32-25(30-20-10-8-18(27)14-19(20)26(33)34)24(16(2)31-32)17-7-9-21-22(13-17)29-12-11-28-21/h3-14,30H,1-2H3,(H,33,34) MRRNUWKNPZXKPF-UHFFFAOYSA-N 50327334 5-chloro-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258283 Adenosine receptor A1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327334&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46175652 123106449 CHEMBL1258283 ZINC64527982 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600520 Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C InChI=1S/C27H23N5O2/c1-16-8-10-21(20(14-16)27(33)34)30-26-25(19-9-11-22-23(15-19)29-13-12-28-22)18(3)31-32(26)24-7-5-4-6-17(24)2/h4-15,30H,1-3H3,(H,33,34) LHWLONNBSVYLSB-UHFFFAOYSA-N 50327335 5-methyl-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258284 Adenosine receptor A1 Homo sapiens 5.1 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327335&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46175736 123106450 CHEMBL1258284 ZINC64528145 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600521 Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C InChI=1S/C26H21N5O2/c1-16-7-3-6-10-23(16)31-25(29-20-9-5-4-8-19(20)26(32)33)24(17(2)30-31)18-11-12-21-22(15-18)28-14-13-27-21/h3-15,29H,1-2H3,(H,32,33) KUJFUTJUYANNOM-UHFFFAOYSA-N 50327336 2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258396 Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327336&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46175737 123106451 CHEMBL1258396 ZINC64549013 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600522 COc1ccc(Nc2c(c(C)nn2-c2ccccc2)-c2ccc3nccnc3c2)c(c1)C(O)=O InChI=1S/C26H21N5O3/c1-16-24(17-8-10-22-23(14-17)28-13-12-27-22)25(31(30-16)18-6-4-3-5-7-18)29-21-11-9-19(34-2)15-20(21)26(32)33/h3-15,29H,1-2H3,(H,32,33) FGMAGPJBGACOHZ-UHFFFAOYSA-N 50327337 5-methoxy-2-(3-methyl-1-phenyl-4-(quinoxalin-6-yl)-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258397 Adenosine receptor A1 Homo sapiens 2.8 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327337&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52947525 123106452 CHEMBL1258397 ZINC64548821 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600523 COc1ccc(Nc2c(c(C)nn2C2CCCCC2)-c2ccc3nccnc3c2)c(c1)C(O)=O InChI=1S/C26H27N5O3/c1-16-24(17-8-10-22-23(14-17)28-13-12-27-22)25(31(30-16)18-6-4-3-5-7-18)29-21-11-9-19(34-2)15-20(21)26(32)33/h8-15,18,29H,3-7H2,1-2H3,(H,32,33) WHKXUARDLLUFHJ-UHFFFAOYSA-N 50327338 2-(1-cyclohexyl-3-methyl-4-(quinoxalin-6-yl)-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1258505 Adenosine receptor A1 Homo sapiens 435 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327338&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52941478 123106453 CHEMBL1258505 ZINC64548489 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600524 COc1ccc(Nc2c(c(C)nn2-c2ccccc2Cl)-c2ccc3nccnc3c2)c(c1)C(O)=O InChI=1S/C26H20ClN5O3/c1-15-24(16-7-9-21-22(13-16)29-12-11-28-21)25(32(31-15)23-6-4-3-5-19(23)27)30-20-10-8-17(35-2)14-18(20)26(33)34/h3-14,30H,1-2H3,(H,33,34) MAOHLJWIWQTXAA-UHFFFAOYSA-N 50327323 2-(1-(2-chlorophenyl)-3-methyl-4-(quinoxalin-6-yl)-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1258506 Adenosine receptor A1 Homo sapiens 7.3 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327323&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46175738 123106438 CHEMBL1258506 ZINC64548490 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600525 CCc1ccccc1-n1nc(C)c(c1Nc1ccc(OC)cc1C(O)=O)-c1ccc2nccnc2c1 InChI=1S/C28H25N5O3/c1-4-18-7-5-6-8-25(18)33-27(31-22-12-10-20(36-3)16-21(22)28(34)35)26(17(2)32-33)19-9-11-23-24(15-19)30-14-13-29-23/h5-16,31H,4H2,1-3H3,(H,34,35) GFRCQSXPYRBHLF-UHFFFAOYSA-N 50327339 2-(1-(2-ethylphenyl)-3-methyl-4-(quinoxalin-6-yl)-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1258621 Adenosine receptor A1 Homo sapiens 6.4 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327339&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46176000 123106454 CHEMBL1258621 ZINC64540303 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600526 Cc1ccccc1-n1nc(c(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1)C(F)(F)F InChI=1S/C26H18F3N5O2/c1-15-6-2-5-9-21(15)34-24(32-18-8-4-3-7-17(18)25(35)36)22(23(33-34)26(27,28)29)16-10-11-19-20(14-16)31-13-12-30-19/h2-14,32H,1H3,(H,35,36) KKOLTXLXPAZVAG-UHFFFAOYSA-N 50327340 2-(4-(quinoxalin-6-yl)-1-o-tolyl-3-(trifluoromethyl)-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258622 Adenosine receptor A1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327340&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948788 123106455 CHEMBL1258622 ZINC64540304 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600527 CCc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C InChI=1S/C27H23N5O2/c1-3-20-25(18-12-13-22-23(16-18)29-15-14-28-22)26(30-21-10-6-5-9-19(21)27(33)34)32(31-20)24-11-7-4-8-17(24)2/h4-16,30H,3H2,1-2H3,(H,33,34) OBJRSTSEGOUTBJ-UHFFFAOYSA-N 50327341 2-(3-ethyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258730 Adenosine receptor A1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327341&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948995 123106456 CHEMBL1258730 ZINC64540800 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600528 Cc1ccccc1-n1ncc(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1 InChI=1S/C25H19N5O2/c1-16-6-2-5-9-23(16)30-24(29-20-8-4-3-7-18(20)25(31)32)19(15-28-30)17-10-11-21-22(14-17)27-13-12-26-21/h2-15,29H,1H3,(H,31,32) NWINZOCTHZKZML-UHFFFAOYSA-N 50327342 2-(4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258731 Adenosine receptor A1 Homo sapiens 277 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327342&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46175914 123106457 CHEMBL1258731 ZINC64540145 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50600529 Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34) NOWOPOVWIVWOBL-UHFFFAOYSA-N 50327343 2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258850 Adenosine receptor A1 Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2010.07.095 10.7270/Q2FQ9WV8 20728355 Griebenow, N; Barfacker, L; Meier, H; Schneider, D; Teusch, N; Lustig, K; Kast, R; Kolkhof, P Bayer Schering Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327343&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44631910 123106458 CHEMBL1258850 ZINC64540263 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620242 CCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C19H17N3O/c1-2-18(23)22-19-20-16(14-9-5-3-6-10-14)13-17(21-19)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23) AZXIPRTZIQWIHR-UHFFFAOYSA-N 50157663 CHEMBL222718::N-(4,6-diphenylpyrimidin-2-yl)propionamide Adenosine receptor A1 Homo sapiens 31.3 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157663&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11278089 104044586 CHEMBL222718 ZINC13586469 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620243 CCCC(=O)Nc1nc(cc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1 InChI=1S/C22H23N3O/c1-4-5-21(26)25-22-23-19(17-10-6-15(2)7-11-17)14-20(24-22)18-12-8-16(3)9-13-18/h6-14H,4-5H2,1-3H3,(H,23,24,25,26) HJZUQXKODRRLHK-UHFFFAOYSA-N 50335688 CHEMBL1650144::N-(4,6-dip-tolylpyrimidin-2-yl)butyramide Adenosine receptor A1 Homo sapiens 3760 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335688&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44203236 125085790 CHEMBL1650144 ZINC21525625 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620244 CCC(=O)Nc1nc(cc(n1)-c1ccc(SC)cc1)-c1ccc(SC)cc1 InChI=1S/C21H21N3OS2/c1-4-20(25)24-21-22-18(14-5-9-16(26-2)10-6-14)13-19(23-21)15-7-11-17(27-3)12-8-15/h5-13H,4H2,1-3H3,(H,22,23,24,25) KKQVPFPECHQEJX-UHFFFAOYSA-N 50335689 CHEMBL1650152::N-(4,6-bis(4-(methylthio)phenyl)pyrimidin-2-yl)propionamide Adenosine receptor A1 Homo sapiens 505 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335689&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940921 125085791 CHEMBL1650152 ZINC66099457 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620245 CCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F InChI=1S/C19H15F2N3O/c1-2-18(25)24-19-22-16(12-7-3-5-9-14(12)20)11-17(23-19)13-8-4-6-10-15(13)21/h3-11H,2H2,1H3,(H,22,23,24,25) JFRNXVVABUJBFV-UHFFFAOYSA-N 50335690 CHEMBL1650164::N-(4,6-bis(2-methoxyphenyl)pyrimidin-2-yl)propionamide Adenosine receptor A1 Homo sapiens 48.2 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335690&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940926 125085792 CHEMBL1650164 ZINC66112480 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620246 CCCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F InChI=1S/C20H17F2N3O/c1-2-7-19(26)25-20-23-17(13-8-3-5-10-15(13)21)12-18(24-20)14-9-4-6-11-16(14)22/h3-6,8-12H,2,7H2,1H3,(H,23,24,25,26) MWYONDNCIIPSFP-UHFFFAOYSA-N 50335691 CHEMBL1650165::N-(4,6-bis(2-methoxyphenyl)pyrimidin-2-yl)butyramide Adenosine receptor A1 Homo sapiens 23.5 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335691&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940939 125085793 CHEMBL1650165 ZINC66112481 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620247 CCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 InChI=1S/C21H17N3O5/c1-2-20(25)24-21-22-14(12-3-5-16-18(7-12)28-10-26-16)9-15(23-21)13-4-6-17-19(8-13)29-11-27-17/h3-9H,2,10-11H2,1H3,(H,22,23,24,25) WXEQUAWEYJXPRJ-UHFFFAOYSA-N 50335692 CHEMBL1650173::N-(4,6-di(benzo[d][1,3]dioxol-5-yl)pyrimidin-2-yl)propionamide Adenosine receptor A1 Homo sapiens 535 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335692&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940928 125085794 CHEMBL1650173 ZINC66104690 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620313 CCCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 InChI=1S/C22H19N3O5/c1-2-3-21(26)25-22-23-15(13-4-6-17-19(8-13)29-11-27-17)10-16(24-22)14-5-7-18-20(9-14)30-12-28-18/h4-10H,2-3,11-12H2,1H3,(H,23,24,25,26) BKKBDRPRVLLRLJ-UHFFFAOYSA-N 50335703 CHEMBL1650174::N-(4,6-di(benzo[d][1,3]dioxol-5-yl)pyrimidin-2-yl)butyramide Adenosine receptor A1 Homo sapiens 678 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335703&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940941 125085805 CHEMBL1650174 ZINC66104694 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620314 CCCC(=O)Nc1nc(cc(n1)-c1cccs1)-c1cccs1 InChI=1S/C16H15N3OS2/c1-2-5-15(20)19-16-17-11(13-6-3-8-21-13)10-12(18-16)14-7-4-9-22-14/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20) VXWWIISWNYQGQF-UHFFFAOYSA-N 50335742 CHEMBL1650342::N-(4,6-di(thiophen-2-yl)pyrimidin-2-yl)butyramide Adenosine receptor A1 Homo sapiens 255 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335742&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940944 125085844 CHEMBL1650342 ZINC66102637 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620315 CCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1 InChI=1S/C15H13N3OS2/c1-2-14(19)18-15-16-12(10-3-5-20-8-10)7-13(17-15)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19) ZWLARIFBBGEWOS-UHFFFAOYSA-N 50335706 CHEMBL1650347::N-(4,6-di(thiophen-3-yl)pyrimidin-2-yl)propionamide Adenosine receptor A1 Homo sapiens 367 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335706&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940932 125085808 CHEMBL1650347 ZINC66102645 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620316 CCCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1 InChI=1S/C16H15N3OS2/c1-2-3-15(20)19-16-17-13(11-4-6-21-9-11)8-14(18-16)12-5-7-22-10-12/h4-10H,2-3H2,1H3,(H,17,18,19,20) NZYDYXKPYLFEMZ-UHFFFAOYSA-N 50335743 CHEMBL1650348::N-(4,6-di(thiophen-3-yl)pyrimidin-2-yl)butyramide Adenosine receptor A1 Homo sapiens 85.7 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335743&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44203644 125085845 CHEMBL1650348 ZINC66102646 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620317 CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C18H15N3O/c1-13(22)19-17-12-16(14-8-4-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22) ZFBASLSZDCISGS-UHFFFAOYSA-N 50157676 CHEMBL426565::N-(2,6-diphenylpyrimidin-4-yl)acetamide Adenosine receptor A1 Homo sapiens 31.2 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157676&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11185362 104044599 CHEMBL426565 ZINC13586450 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620318 CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23) GFLZXPLJINFGKI-UHFFFAOYSA-N 50157672 CHEMBL222474::N-(2,6-diphenylpyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 22.3 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157672&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11438116 104044595 CHEMBL222474 ZINC13586451 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620319 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-2-9-19(24)22-18-14-17(15-10-5-3-6-11-15)21-20(23-18)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24) UBJLQDSZSYHXLE-UHFFFAOYSA-N 50157659 CHEMBL222384::N-(2,6-diphenylpyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 19.5 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157659&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11359018 104044582 CHEMBL222384 ZINC13586452 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620320 CCC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1 InChI=1S/C21H21N3O/c1-4-20(25)23-19-13-18(16-9-5-14(2)6-10-16)22-21(24-19)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,22,23,24,25) MVIHDQSVKBDTMN-UHFFFAOYSA-N 50335708 CHEMBL1650350::N-2,6-di-p-tolylpyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 36.9 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335708&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44203643 125085810 CHEMBL1650350 ZINC66112452 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620321 CCC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1 InChI=1S/C19H15F2N3O/c1-2-18(25)23-17-11-16(12-3-7-14(20)8-4-12)22-19(24-17)13-5-9-15(21)10-6-13/h3-11H,2H2,1H3,(H,22,23,24,25) UJOGRXYWXUVXCF-UHFFFAOYSA-N 50335720 CHEMBL1650365::N-2,6-bis4-fluorophenyl)pyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 83.9 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335720&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940972 125085822 CHEMBL1650365 ZINC66100569 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620322 CCCC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1 InChI=1S/C20H17F2N3O/c1-2-3-19(26)24-18-12-17(13-4-8-15(21)9-5-13)23-20(25-18)14-6-10-16(22)11-7-14/h4-12H,2-3H2,1H3,(H,23,24,25,26) LEWRACVGHSPIPT-UHFFFAOYSA-N 50335721 CHEMBL1650366::N-2,6-bis4-fluorophenyl)pyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 82.3 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335721&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940986 125085823 CHEMBL1650366 ZINC66100570 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620323 CCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F InChI=1S/C19H15F2N3O/c1-2-18(25)23-17-11-16(12-7-3-5-9-14(12)20)22-19(24-17)13-8-4-6-10-15(13)21/h3-11H,2H2,1H3,(H,22,23,24,25) QVOWOYIUKZYYOJ-UHFFFAOYSA-N 50335726 CHEMBL1650371::N-2,6-bis2-methoxyphenyl)pyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 31.6 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335726&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940974 125085828 CHEMBL1650371 ZINC66103962 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620324 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F InChI=1S/C20H17F2N3O/c1-2-7-19(26)24-18-12-17(13-8-3-5-10-15(13)21)23-20(25-18)14-9-4-6-11-16(14)22/h3-6,8-12H,2,7H2,1H3,(H,23,24,25,26) WNTWPGAWKVOARH-UHFFFAOYSA-N 50335727 CHEMBL1650372::N-2,6-bis2-methoxyphenyl)pyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 18.7 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335727&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940989 125085829 CHEMBL1650372 ZINC66103964 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620325 CCC(=O)Nc1cc(nc(n1)-c1ccccc1OC)-c1ccccc1OC InChI=1S/C21H21N3O3/c1-4-20(25)23-19-13-16(14-9-5-7-11-17(14)26-2)22-21(24-19)15-10-6-8-12-18(15)27-3/h5-13H,4H2,1-3H3,(H,22,23,24,25) UUJPISPMPGKRCX-UHFFFAOYSA-N 50335729 CHEMBL1650374::N-2,6-bis2-fluorophenyl)pyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 113 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335729&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940973 125085831 CHEMBL1650374 ZINC66103968 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620332 CC(C)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-14(2)19(24)23-20-21-17(15-9-5-3-6-10-15)13-18(22-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23,24) AGCKGTMTDBKSHH-UHFFFAOYSA-N 50157654 CHEMBL376778::LUF-5737::N-(4,6-diphenylpyrimidin-2-yl)isobutyramide Adenosine receptor A1 Homo sapiens 8.87 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157654&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11381543 104044577 CHEMBL376778 ZINC06716087 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620333 CC(C)(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H23N3O/c1-22(2,3)15-20(26)25-21-23-18(16-10-6-4-7-11-16)14-19(24-21)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,24,25,26) AOKSLNJGKPKMQZ-UHFFFAOYSA-N 50335750 CHEMBL1650402::N-(4,6-diphenylpyrimidin-2-yl)-3,3-dimethylbutanamide Adenosine receptor A1 Homo sapiens 8.75 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335750&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53319265 125085852 CHEMBL1650402 ZINC66113422 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620334 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1 InChI=1S/C22H21N3O/c26-21(18-13-7-8-14-18)25-22-23-19(16-9-3-1-4-10-16)15-20(24-22)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26) NVVQQBAOOOCQIE-UHFFFAOYSA-N 50157669 CHEMBL225460::cyclopentane carboxylic acid (4,6diphenylpyrimidin-2-yl)amide Adenosine receptor A1 Homo sapiens 2.14 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157669&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11427880 104044592 CHEMBL225460 ZINC06716088 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620337 CCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-2-9-19(24)23-20-21-17(15-10-5-3-6-11-15)14-18(22-20)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24) IGXLAZUQYPCBKI-UHFFFAOYSA-N 50157673 CHEMBL222719::LUF-5735::N-(4,6-diphenylpyrimidin-2-yl)butyramide Adenosine receptor A1 Homo sapiens 3.7 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157673&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11392960 104044596 CHEMBL222719 ZINC06716086 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620338 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1OC)-c1ccccc1OC InChI=1S/C22H23N3O3/c1-4-9-21(26)24-20-14-17(15-10-5-7-12-18(15)27-2)23-22(25-20)16-11-6-8-13-19(16)28-3/h5-8,10-14H,4,9H2,1-3H3,(H,23,24,25,26) KOLMGJNPBKWHGS-UHFFFAOYSA-N 50335730 CHEMBL1650375::N-2,6-bis2-fluorophenyl)pyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 41.3 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335730&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940988 125085832 CHEMBL1650375 ZINC66103970 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620339 CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 InChI=1S/C20H15N3O5/c1-11(24)21-19-8-14(12-2-4-15-17(6-12)27-9-25-15)22-20(23-19)13-3-5-16-18(7-13)28-10-26-16/h2-8H,9-10H2,1H3,(H,21,22,23,24) LAJMEKHFSVFIQO-UHFFFAOYSA-N 50335734 CHEMBL1650379::N-2,6-dibenzo[d][1,3]dioxol-6-yl)pyrimidin-4-yl)acetamide Adenosine receptor A1 Homo sapiens 17.7 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335734&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940962 125085836 CHEMBL1650379 ZINC66102022 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620340 CCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 InChI=1S/C21H17N3O5/c1-2-20(25)23-19-9-14(12-3-5-15-17(7-12)28-10-26-15)22-21(24-19)13-4-6-16-18(8-13)29-11-27-16/h3-9H,2,10-11H2,1H3,(H,22,23,24,25) FPGLLUINTXSLFA-UHFFFAOYSA-N 50335693 CHEMBL1650380::N-2,6-dibenzo[d][1,3]dioxol-6-yl)pyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 5.28 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335693&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940976 125085795 CHEMBL1650380 ZINC66102025 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620341 CCCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 InChI=1S/C22H19N3O5/c1-2-3-21(26)24-20-10-15(13-4-6-16-18(8-13)29-11-27-16)23-22(25-20)14-5-7-17-19(9-14)30-12-28-17/h4-10H,2-3,11-12H2,1H3,(H,23,24,25,26) XHRJZEOBDDVMLG-UHFFFAOYSA-N 50335735 CHEMBL1650381::N-2,6-dibenzo[d][1,3]dioxol-6-yl)pyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 9.7 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335735&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50941003 125085837 CHEMBL1650381 ZINC66102746 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620342 CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18) NZYYJYYUIUOBHV-UHFFFAOYSA-N 50335694 CHEMBL1650384::N-2,6-difuran-2-yl)pyrimidin-4-yl)acetamide Adenosine receptor A1 Homo sapiens 40.7 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335694&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940964 125085796 CHEMBL1650384 ZINC66100174 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620343 CCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 InChI=1S/C15H13N3O3/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19) HAAWWFVQBALACQ-UHFFFAOYSA-N 50335695 CHEMBL1650385::N-2,6-difuran-2-yl)pyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 15.5 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335695&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940978 125085797 CHEMBL1650385 ZINC66100176 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620344 CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20) YOGREESMVPNNCJ-UHFFFAOYSA-N 50335696 CHEMBL1650386::N-2,6-difuran-2-yl)pyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 7.8 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335696&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50941005 125085798 CHEMBL1650386 ZINC66100177 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620345 CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1 InChI=1S/C15H13N3OS2/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19) HPHNCACRSQYJMW-UHFFFAOYSA-N 50335739 CHEMBL1650388::N-2,6-dithiophen-2-yl)pyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 32.9 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335739&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940979 125085841 CHEMBL1650388 ZINC66100181 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620346 CCCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1 InChI=1S/C16H15N3OS2/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20) AYGCCWAQUFAHBW-UHFFFAOYSA-N 50335740 CHEMBL1650389::N-2,6-dithiophen-2-yl)pyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 33.3 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335740&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50941006 125085842 CHEMBL1650389 ZINC66105169 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620347 CCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1 InChI=1S/C15H13N3O3/c1-2-14(19)17-13-7-12(10-3-5-20-8-10)16-15(18-13)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19) JWCIVMRVTPGJHY-UHFFFAOYSA-N 50335698 CHEMBL1650391::N-2,6-difuran-3-yl)pyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 132 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335698&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940980 125085800 CHEMBL1650391 ZINC66104699 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620348 CCCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1 InChI=1S/C16H15N3O3/c1-2-3-15(20)18-14-8-13(11-4-6-21-9-11)17-16(19-14)12-5-7-22-10-12/h4-10H,2-3H2,1H3,(H,17,18,19,20) DEZKWNXSFMAETO-UHFFFAOYSA-N 50335751 CHEMBL1650392::N-2,6-difuran-3-yl)pyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 65.1 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335751&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50941007 125085853 CHEMBL1650392 ZINC66104700 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620349 CCC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1 InChI=1S/C15H13N3OS2/c1-2-14(19)17-13-7-12(10-3-5-20-8-10)16-15(18-13)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19) UHXRXYHGDPUNGT-UHFFFAOYSA-N 50335699 CHEMBL1650394::N-2,6-dithiophen-3-yl)pyrimidin-4-yl)propionamide Adenosine receptor A1 Homo sapiens 39.4 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335699&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50940981 125085801 CHEMBL1650394 ZINC66157454 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50620350 CCCC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1 InChI=1S/C16H15N3OS2/c1-2-3-15(20)18-14-8-13(11-4-6-21-9-11)17-16(19-14)12-5-7-22-10-12/h4-10H,2-3H2,1H3,(H,17,18,19,20) ORQJMCNIEBEXQC-UHFFFAOYSA-N 50335752 CHEMBL1650395::N-2,6-dithiophen-3-yl)pyrimidin-4-yl)butyramide Adenosine receptor A1 Homo sapiens 65.1 ChEMBL 10.1021/jm100843z 10.7270/Q28P60SK 21186795 Yaziji, V; Rodriguez, D; Gutierrez-de-Teran, H; Coelho, A; Caamano, O; Garcia-Mera, X; Brea, J; Loza, MI; Cadavid, MI; Sotelo, E University of Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335752&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50941008 125085854 CHEMBL1650395 ZINC66111502 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50609258 Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25) NZMLWAPHUUXPMQ-UHFFFAOYSA-N 50330987 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one dihydrochloride::CHEMBL1087189 Adenosine receptor A1 Homo sapiens 17 ChEMBL 10.1021/jm100971t 10.7270/Q2VT1SCG 20973483 Shook, BC; Rassnick, S; Osborne, MC; Davis, S; Westover, L; Boulet, J; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Chakravarty, D; Bullington, JL; Russell, R; Branum, S; Wells, KM; Damon, S; Youells, S; Li, X; Beauchamp, DA; Palmer, D; Reyes, M; Demarest, K; Tang, Y; Rhodes, K; Jackson, PF Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330987&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46863665 123110102 CHEMBL1087189 ZINC49052919 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623919 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CC1 InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) RZDRIXVHILKLLP-UHFFFAOYSA-N 50336974 CHEMBL1672611::N-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 55 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336974&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16072021 125087076 CHEMBL1672611 ZINC35000655 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623920 CC(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 InChI=1S/C15H12N4O2/c1-10(20)18-13-9-17-14(11-4-6-16-7-5-11)15(19-13)12-3-2-8-21-12/h2-9H,1H3,(H,18,19,20) IYMUBQAVDWGMOK-UHFFFAOYSA-N 50336982 CHEMBL1672612::N-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]acetamide Adenosine receptor A1 Homo sapiens 454 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336982&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16072019 125087084 CHEMBL1672612 ZINC35000653 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623921 CCC(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 InChI=1S/C16H14N4O2/c1-2-14(21)19-13-10-18-15(11-5-7-17-8-6-11)16(20-13)12-4-3-9-22-12/h3-10H,2H2,1H3,(H,19,20,21) JHBSNTNTZSANRS-UHFFFAOYSA-N 50336983 CHEMBL1672613::N-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]propanamide Adenosine receptor A1 Homo sapiens 42 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336983&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16072020 125087085 CHEMBL1672613 ZINC35000654 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623922 CC(C)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22) FXBWXCWDDWUCSK-UHFFFAOYSA-N 50336984 CHEMBL1672614::N-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]-2-methylpropanamide Adenosine receptor A1 Homo sapiens 18 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336984&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16072023 125087086 CHEMBL1672614 ZINC35000657 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623923 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCC1 InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23) XCUISAPLRLETKW-UHFFFAOYSA-N 50336985 CHEMBL1672615::N-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclobutanecarboxamide Adenosine receptor A1 Homo sapiens 17 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336985&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16072022 125087087 CHEMBL1672615 ZINC35000656 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623924 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1 InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24) UEBJAZCBAZVERF-UHFFFAOYSA-N 50336986 CHEMBL1672616::N-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopentanecarboxamide Adenosine receptor A1 Homo sapiens 27 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336986&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53318744 125087088 CHEMBL1672616 ZINC66077319 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623925 Fc1ccc(cc1)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 InChI=1S/C20H13FN4O2/c21-15-5-3-14(4-6-15)20(26)25-17-12-23-18(13-7-9-22-10-8-13)19(24-17)16-2-1-11-27-16/h1-12H,(H,24,25,26) BKEYPKXKFJPYCZ-UHFFFAOYSA-N 50336987 4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]benzamide::CHEMBL1672617 Adenosine receptor A1 Homo sapiens 1040 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336987&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16070216 125087089 CHEMBL1672617 ZINC34997643 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623926 O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25) QGEFGRKOALZSHD-UHFFFAOYSA-N 50336988 2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]acetamide::CHEMBL1672618 Adenosine receptor A1 Homo sapiens 98 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336988&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16072024 125087090 CHEMBL1672618 ZINC35000658 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623927 Cc1ccc(o1)-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1 InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23) IATOZURPNIOIDD-UHFFFAOYSA-N 50336989 CHEMBL1672619::N-[6-(5-Methyl-2-furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336989&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16071777 125087091 CHEMBL1672619 ZINC35000261 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623928 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1 InChI=1S/C18H15N5O/c24-18(13-4-5-13)23-15-11-21-16(12-6-9-19-10-7-12)17(22-15)14-3-1-2-8-20-14/h1-3,6-11,13H,4-5H2,(H,22,23,24) HDBIVURBHQQGPN-UHFFFAOYSA-N 50336990 CHEMBL1672620::N-(6-Pyridin-2-yl-5-pyridin-4-ylpyrazin-2-yl)cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 312 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336990&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16070335 125087092 CHEMBL1672620 ZINC34997826 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623929 Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1 InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25) GTPWPCYIYPRNLK-UHFFFAOYSA-N 50336991 CHEMBL1672623::N-[6-(2-Fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 25 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336991&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16071901 125087093 CHEMBL1672623 ZINC35000471 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623930 O=C(Nc1cnc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 InChI=1S/C16H13N5O2/c22-16(10-3-4-10)21-13-8-18-14(11-5-6-17-9-19-11)15(20-13)12-2-1-7-23-12/h1-2,5-10H,3-4H2,(H,20,21,22) OLQHRWUOMJTQKH-UHFFFAOYSA-N 50336994 CHEMBL1672626::N-[6-(2-Furyl)-5-pyrimidin-4-ylpyrazin-2-yl]cyclopropanecarboxamide Adenosine receptor A1 Homo sapiens 2254 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336994&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 16070220 125087096 CHEMBL1672626 ZINC34997650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50623931 Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1F InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9-15(13)21)23-10-16(24-18)25-19(26)11-5-6-11/h1-4,7-11H,5-6H2,(H,24,25,26) SVYGTBODIFTCOZ-UHFFFAOYSA-N 50336996 CHEMBL1672631::N-[6-(2-Fluorophenyl)-5-(3-fluoropyridin-4-yl)pyrazin-2-yl]cyclopropane-carboxamide Adenosine receptor A1 Homo sapiens 130 ChEMBL 10.1021/ml100249e 10.7270/Q2PG1S10 24900298 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336996&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53324032 125087098 CHEMBL1672631 ZINC66065902 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608514 O=c1n(Cc2ccccc2)nc(-c2ccccc2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C27H19N5O/c33-27-26-24(23-16-22(29-32(23)18-28-26)20-12-6-2-7-13-20)25(21-14-8-3-9-15-21)30-31(27)17-19-10-4-1-5-11-19/h1-16,18H,17H2 KLXMHMZZNVUFPP-UHFFFAOYSA-N 50330618 3-Benzyl-1,9-diphenylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1276851 Adenosine receptor A1 Homo sapiens 1432 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948327 123109733 CHEMBL1276851 ZINC64446896 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608515 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 3.2 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608516 Cc1nc2c(c(Cl)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1 InChI=1S/C22H16ClN5O/c1-14-24-20-19(18-12-17(25-28(14)18)16-10-6-3-7-11-16)21(23)26-27(22(20)29)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3 CORJPLANXRFZNY-UHFFFAOYSA-N 50330619 3-Benzyl-1-chloro-6-methyl-9-phenylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1276853 Adenosine receptor A1 Homo sapiens 1616 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330619&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52944659 123109734 CHEMBL1276853 ZINC64454390 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608517 CCc1nc2c(c(C)nn(C(C)c3ccccc3)c2=O)c2cc(nn12)-c1ccccc1 InChI=1S/C25H23N5O/c1-4-22-26-24-23(21-15-20(28-30(21)22)19-13-9-6-10-14-19)16(2)27-29(25(24)31)17(3)18-11-7-5-8-12-18/h5-15,17H,4H2,1-3H3 IXWIEUSCMKPOBF-UHFFFAOYSA-N 50330620 6-Ethyl-9-phenyl-3-(1-phenylethyl)-1-methylpyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1277301 Adenosine receptor A1 Homo sapiens 2385 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330620&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52945566 123109735 CHEMBL1277301 ZINC64436549 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608518 CC(c1ccccc1)n1nc(C)c2c3cc(nn3c(C)nc2c1=O)-c1ccccc1 InChI=1S/C24H21N5O/c1-15-22-21-14-20(19-12-8-5-9-13-19)27-29(21)17(3)25-23(22)24(30)28(26-15)16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3 YSNYZLUBXDTXPJ-UHFFFAOYSA-N 50330621 1,6-Dimethyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1277207 Adenosine receptor A1 Homo sapiens 3080 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330621&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52943141 123109736 CHEMBL1277207 ZINC64447222 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608519 Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1 InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3 GKMOVBXNXJHZPK-UHFFFAOYSA-N 50165819 7-Benzyl-4,9-dimethyl-2-phenyl-7H-3,3a,5,7,8-pentaaza-cyclopenta[a]naphthalen-6-one::CHEMBL382494 Adenosine receptor A1 Homo sapiens 3250 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165819&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44402195 104051317 CHEMBL382494 ZINC28524894 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608520 CC(c1ccccc1)n1nc(C)c2c3cc(nn3cnc2c1=O)-c1ccccc1 InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-27(20)14-24-22(21)23(29)28(25-15)16(2)17-9-5-3-6-10-17/h3-14,16H,1-2H3 YXYBIINYZVZKPA-UHFFFAOYSA-N 50330622 1-Methyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1278194 Adenosine receptor A1 Homo sapiens 475 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330622&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52943519 123109737 CHEMBL1278194 ZINC64446483 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608521 Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 InChI=1S/C20H15N5OS/c1-13-18-17-9-16(15-7-8-27-11-15)23-25(17)12-21-19(18)20(26)24(22-13)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3 PNXKNLVMBBJLFQ-UHFFFAOYSA-N 50330623 3-Benzyl-1-methyl-9-thiophen-3-yl-pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1278102 Adenosine receptor A1 Homo sapiens 85 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330623&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49870828 123109738 CHEMBL1278102 ZINC64448978 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608522 Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 InChI=1S/C22H17N5O/c1-15-20-19-12-18(17-10-6-3-7-11-17)25-27(19)14-23-21(20)22(28)26(24-15)13-16-8-4-2-5-9-16/h2-12,14H,13H2,1H3 SGZFBLCNGYGISG-UHFFFAOYSA-N 50193584 3-benzyl-1-methyl-9-phenylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL213425 Adenosine receptor A1 Homo sapiens 104 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50193584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50193584&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11850015 104076020 CHEMBL213425 ZINC36242928 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608526 O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39) OOTVLKSCGYKBDY-UHFFFAOYSA-N 50133368 CHEMBL335950::N-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-(naphthalen-1-yl)acetamide::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-naphthalen-1-yl-acetamide Adenosine receptor A1 Homo sapiens 1100 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133368&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10007115 104024199 CHEMBL335950 ZINC27425704 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608529 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24) AEULVFLPCJOBCE-UHFFFAOYSA-N 50094037 2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL136689::SCH-442416 Adenosine receptor A1 Homo sapiens 1111 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094037&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10668061 103991936 CHEMBL136689 3283 ZINC00602847 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608537 Cc1nc2c(c(nn(Cc3ccccc3)c2=S)-c2ccncc2)c2cc(nn12)-c1ccccc1 InChI=1S/C27H20N6S/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3 FGSNFBKSRRACHN-UHFFFAOYSA-N 50330624 3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-ylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-thione::CHEMBL1278104 Adenosine receptor A1 Homo sapiens 267 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330624&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52949641 123109739 CHEMBL1278104 ZINC64447667 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608538 CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1 InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-16-22(31-34(23)24)20-12-7-4-8-13-20)26(21-14-9-15-29-17-21)32-33(28(27)35)18-19-10-5-3-6-11-19/h3-17H,2,18H2,1H3 MOZPXFRDBZUGFZ-UHFFFAOYSA-N 50330625 3-Benzyl-6-ethyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1278011 Adenosine receptor A1 Homo sapiens 180 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330625&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948414 123109740 CHEMBL1278011 ZINC64454281 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608539 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1 InChI=1S/C27H20N6O/c1-18-29-26-24(23-15-22(30-33(18)23)20-11-6-3-7-12-20)25(21-13-8-14-28-16-21)31-32(27(26)34)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3 BADUHXLPFUCAGC-UHFFFAOYSA-N 50330626 3-Benzyl-6-methyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1278010 Adenosine receptor A1 Homo sapiens 47 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330626&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49870826 123109741 CHEMBL1278010 ZINC64454280 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608540 CC(C)c1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 InChI=1S/C29H24N6O/c1-19(2)28-31-27-25(24-17-23(32-35(24)28)21-11-7-4-8-12-21)26(22-13-15-30-16-14-22)33-34(29(27)36)18-20-9-5-3-6-10-20/h3-17,19H,18H2,1-2H3 SLEPPLXCGFHNMN-UHFFFAOYSA-N 50330627 3-Benzyl-6-isopropyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1277926 Adenosine receptor A1 Homo sapiens 192 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330627&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52942334 123109742 CHEMBL1277926 ZINC64448342 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608541 CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 InChI=1S/C29H24N6O/c1-2-9-25-31-28-26(24-18-23(32-35(24)25)21-12-7-4-8-13-21)27(22-14-16-30-17-15-22)33-34(29(28)36)19-20-10-5-3-6-11-20/h3-8,10-18H,2,9,19H2,1H3 ZGGYOILMOSVVLZ-UHFFFAOYSA-N 50330628 3-Benzyl-9-phenyl-6-n-propyl-1-pyridin-4-yl-pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1277925 Adenosine receptor A1 Homo sapiens 28 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330628&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52949644 123109743 CHEMBL1277925 ZINC64436719 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608542 CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-17-22(31-34(23)24)20-11-7-4-8-12-20)26(21-13-15-29-16-14-21)32-33(28(27)35)18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3 CJFKDWZUTAKCKB-UHFFFAOYSA-N 50330629 3-Benzyl-6-ethyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1277846 Adenosine receptor A1 Homo sapiens 72 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330629&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948418 123109744 CHEMBL1277846 ZINC64446668 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608543 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 InChI=1S/C27H20N6O/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3 VSILZVWVDRTSER-UHFFFAOYSA-N 50330630 3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1277845 Adenosine receptor A1 Homo sapiens 44 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330630&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52949655 123109745 CHEMBL1277845 ZINC64447393 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608544 O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2 YQSXASIKWPYYFD-UHFFFAOYSA-N 50330631 3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277116 Adenosine receptor A1 Homo sapiens 11 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330631&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49870825 123109746 CHEMBL1277116 ZINC64436481 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608545 O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C26H18N6O/c33-26-25-23(22-15-21(29-32(22)17-28-25)19-9-5-2-6-10-19)24(20-11-13-27-14-12-20)30-31(26)16-18-7-3-1-4-8-18/h1-15,17H,16H2 CIPQSILBAUCAIX-UHFFFAOYSA-N 50330632 3-Benzyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277025 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330632&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52944665 123109747 CHEMBL1277025 ZINC64448646 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608546 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccc(F)c2)c2cc(nn12)-c1ccccc1 InChI=1S/C28H20FN5O/c1-18-30-27-25(24-16-23(31-34(18)24)20-11-6-3-7-12-20)26(21-13-8-14-22(29)15-21)32-33(28(27)35)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3 MKVDHMOSPZSDBF-UHFFFAOYSA-N 50330633 3-Benzyl-1-(3-fluorophenyl)-6-methyl-9-phenylpyrazolo[1',5':1,6]pyrimido[4,5d]pyridazin-4(3H)-one::CHEMBL1277667 Adenosine receptor A1 Homo sapiens 3245 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330633&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52944320 123109748 CHEMBL1277667 ZINC64447927 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608547 CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1 InChI=1S/C30H25N5O/c1-2-12-26-31-29-27(25-19-24(32-35(25)26)22-15-8-4-9-16-22)28(23-17-10-5-11-18-23)33-34(30(29)36)20-21-13-6-3-7-14-21/h3-11,13-19H,2,12,20H2,1H3 WIBHTXPHISHFEQ-UHFFFAOYSA-N 50330634 3-Benzyl-1,9-diphenyl-6-n-propylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277480 Adenosine receptor A1 Homo sapiens 564 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330634&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52946765 123109749 CHEMBL1277480 ZINC64447783 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608548 CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1 InChI=1S/C29H23N5O/c1-2-25-30-28-26(24-18-23(31-34(24)25)21-14-8-4-9-15-21)27(22-16-10-5-11-17-22)32-33(29(28)35)19-20-12-6-3-7-13-20/h3-18H,2,19H2,1H3 PUTAVUBQRSZHNO-UHFFFAOYSA-N 50330635 3-Benzyl-1,9-diphenyl-6-ethylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277390 Adenosine receptor A1 Homo sapiens 2445 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330635&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52946784 123109750 CHEMBL1277390 ZINC64446554 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608550 Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 InChI=1S/C25H16FN5OS/c26-19-8-4-7-17(11-19)23-22-21-12-20(18-9-10-33-14-18)28-31(21)15-27-24(22)25(32)30(29-23)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2 KZMXTVXHRFSHNP-UHFFFAOYSA-N 50330637 3-Benzyl-1-(3-fluorophenyl)-9-thiophen-3-yl-pyrazolo [1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277024 Adenosine receptor A1 Homo sapiens 189 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330637&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52945914 123109752 CHEMBL1277024 ZINC64448644 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608551 Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 InChI=1S/C27H18FN5O/c28-21-13-7-12-20(14-21)25-24-23-15-22(19-10-5-2-6-11-19)30-33(23)17-29-26(24)27(34)32(31-25)16-18-8-3-1-4-9-18/h1-15,17H,16H2 QFEVUUROIVLUDB-UHFFFAOYSA-N 50330638 3-Benzyl-1-(3-fluorophenyl)-9-phenylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1276939 Adenosine receptor A1 Homo sapiens 93 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330638&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49870827 123109753 CHEMBL1276939 ZINC64453903 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608552 Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 InChI=1S/C25H16FN5OS/c26-19-8-6-17(7-9-19)23-22-21-12-20(18-10-11-33-14-18)28-31(21)15-27-24(22)25(32)30(29-23)13-16-4-2-1-3-5-16/h1-12,14-15H,13H2 FBVYCPXIPNHFHO-UHFFFAOYSA-N 50330639 3-Benzyl-1-(4-fluorophenyl)-9-thiophen-3-yl-pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1276938 Adenosine receptor A1 Homo sapiens 123 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330639&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52947745 123109754 CHEMBL1276938 ZINC64436613 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608553 Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 InChI=1S/C27H18FN5O/c28-21-13-11-20(12-14-21)25-24-23-15-22(19-9-5-2-6-10-19)30-33(23)17-29-26(24)27(34)32(31-25)16-18-7-3-1-4-8-18/h1-15,17H,16H2 LISHZCBKDSKWCG-UHFFFAOYSA-N 50330640 3-Benzyl-1-(4-fluorophenyl)-9-phenylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1276852 Adenosine receptor A1 Homo sapiens 252 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330640&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52945912 123109755 CHEMBL1276852 ZINC64453917 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608549 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1 InChI=1S/C28H21N5O/c1-19-29-27-25(24-17-23(30-33(19)24)21-13-7-3-8-14-21)26(22-15-9-4-10-16-22)31-32(28(27)34)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3 MZFDFSJUAOUGBY-UHFFFAOYSA-N 50330636 3-Benzyl-1,9-diphenyl-6-methylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277302 Adenosine receptor A1 Homo sapiens 1595 ChEMBL 10.1016/j.bmc.2010.09.043 10.7270/Q2V12510 20937560 Giovannoni, MP; Vergelli, C; Cilibrizzi, A; Crocetti, L; Biancalani, C; Graziano, A; Dal Piaz, V; Loza, MI; Cadavid, MI; Diaz, JL; Gavalda, A Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330636&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52947997 123109751 CHEMBL1277302 ZINC64436270 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608770 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 InChI=1S/C18H17N5O4/c19-16-13-17(22-12(21-16)7-6-10-4-2-1-3-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h1-5,9,11,14-15,18,24-26H,8H2,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1 BARJSNBJYYNDDG-XKLVTHTNSA-N 50205709 (2R,3R,4S,5R)-2-(6-amino-2-(phenylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::(3R,4S,5R)-2-((R)-6-amino-2-phenylethynyl-9H-purin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL375190 Adenosine receptor A1 Homo sapiens 391 ChEMBL 10.1016/j.bmc.2010.09.038 10.7270/Q22J6C3X 20943397 Dal Ben, D; Buccioni, M; Lambertucci, C; Marucci, G; Thomas, A; Volpini, R; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205709&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10248379 104083997 CHEMBL375190 ZINC12405363 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608771 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 InChI=1S/C19H19N5O4/c1-20-17-14-18(23-13(22-17)8-7-11-5-3-2-4-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,20,22,23)/t12-,15-,16-,19-/m1/s1 QPMWMOJXQPUBBF-BGIGGGFGSA-N 50299698 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)-2-(phenylethynyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL574597 Adenosine receptor A1 Homo sapiens 1690 ChEMBL 10.1016/j.bmc.2010.09.038 10.7270/Q22J6C3X 20943397 Dal Ben, D; Buccioni, M; Lambertucci, C; Marucci, G; Thomas, A; Volpini, R; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299698&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11068963 104141227 CHEMBL574597 ZINC13475052 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50608772 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 InChI=1S/C19H18N6O4/c1-21-18(28)15-13(26)14(27)19(29-15)25-9-22-12-16(20)23-11(24-17(12)25)8-7-10-5-3-2-4-6-10/h2-6,9,13-15,19,26-27H,1H3,(H,21,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1 QOCBWLXZAWZBSS-QCUYGVNKSA-N 50330766 (2S,3S,4R,5R)-5-(6-amino-2-(phenylethynyl)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide::CHEMBL1277040 Adenosine receptor A1 Homo sapiens 3920 ChEMBL 10.1016/j.bmc.2010.09.038 10.7270/Q22J6C3X 20943397 Dal Ben, D; Buccioni, M; Lambertucci, C; Marucci, G; Thomas, A; Volpini, R; Cristalli, G University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330766&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948332 123109881 CHEMBL1277040 ZINC64447817 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611192 CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O InChI=1S/C27H24Cl2N2O5S/c1-37(34,35)26-20(10-7-17-5-3-2-4-6-17)21-14-19(9-12-24(21)31-27(26)33)36-16-25(32)30-15-18-8-11-22(28)23(29)13-18/h2-6,8-9,11-14H,7,10,15-16H2,1H3,(H,30,32)(H,31,33) YLOXHWSGECHWMF-UHFFFAOYSA-N 50331921 CHEMBL1290543::N-(3,4-dichlorobenzyl)-2-(3-(methylsulfonyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 811 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331921&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52947452 123111036 CHEMBL1290543 ZINC64560548 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611193 COCCCNC(=O)COc1ccc2n(C)c(=O)c(c(CCc3ccccc3)c2c1)-c1ccc(F)cc1F InChI=1S/C30H30F2N2O4/c1-34-27-14-11-22(38-19-28(35)33-15-6-16-37-2)18-25(27)23(12-9-20-7-4-3-5-8-20)29(30(34)36)24-13-10-21(31)17-26(24)32/h3-5,7-8,10-11,13-14,17-18H,6,9,12,15-16,19H2,1-2H3,(H,33,35) KMDIEDRJRBECGD-UHFFFAOYSA-N 50331922 2-(3-(2,4-difluorophenyl)-1-methyl-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-(3-methoxypropyl)acetamide::CHEMBL1290544 Adenosine receptor A1 Homo sapiens 3623 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331922&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948671 123111037 CHEMBL1290544 ZINC64559704 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611194 COCCCNC(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)-c1ccc(F)cc1F InChI=1S/C29H28F2N2O4/c1-36-15-5-14-32-27(34)18-37-21-10-13-26-24(17-21)22(11-8-19-6-3-2-4-7-19)28(29(35)33-26)23-12-9-20(30)16-25(23)31/h2-4,6-7,9-10,12-13,16-17H,5,8,11,14-15,18H2,1H3,(H,32,34)(H,33,35) KYJQFDVGXFGBEN-UHFFFAOYSA-N 50331923 2-(3-(2,4-difluorophenyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-(3-methoxypropyl)acetamide::CHEMBL1290663 Adenosine receptor A1 Homo sapiens 6050 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331923&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52945006 123111038 CHEMBL1290663 ZINC64560279 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611195 Cn1c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2c(CCc2ccccc2)c(c1=O)S(C)(=O)=O InChI=1S/C28H26Cl2N2O5S/c1-32-25-13-10-20(37-17-26(33)31-16-19-9-12-23(29)24(30)14-19)15-22(25)21(27(28(32)34)38(2,35)36)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-15H,8,11,16-17H2,1-2H3,(H,31,33) ITSVEPYKZBRQEK-UHFFFAOYSA-N 50331924 CHEMBL1290664::N-(3,4-dichlorobenzyl)-2-(1-methyl-3-(methylsulfonyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331924&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52943791 123111039 CHEMBL1290664 ZINC64560281 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611196 COCCCNC(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O InChI=1S/C24H28N2O6S/c1-31-14-6-13-25-22(27)16-32-18-10-12-21-20(15-18)19(11-9-17-7-4-3-5-8-17)23(24(28)26-21)33(2,29)30/h3-5,7-8,10,12,15H,6,9,11,13-14,16H2,1-2H3,(H,25,27)(H,26,28) BOVAPDGGXUWXJS-UHFFFAOYSA-N 50331925 CHEMBL1290781::N-(3-methoxypropyl)-2-(3-(methylsulfonyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 10443 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331925&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948763 123111040 CHEMBL1290781 ZINC64560413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611197 Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(c1=O)S(C)(=O)=O InChI=1S/C28H28N2O5S/c1-30-25-16-14-22(35-19-26(31)29-18-21-11-7-4-8-12-21)17-24(25)23(27(28(30)32)36(2,33)34)15-13-20-9-5-3-6-10-20/h3-12,14,16-17H,13,15,18-19H2,1-2H3,(H,29,31) QEOBHVHLWKBNJY-UHFFFAOYSA-N 50331926 CHEMBL1290782::N-benzyl-2-(1-methyl-3-(methylsulfonyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 159 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331926&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52945098 123111041 CHEMBL1290782 ZINC64560415 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611198 Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(-c2ccc(F)cc2F)c1=O InChI=1S/C33H28F2N2O3/c1-37-30-17-14-25(40-21-31(38)36-20-23-10-6-3-7-11-23)19-28(30)26(15-12-22-8-4-2-5-9-22)32(33(37)39)27-16-13-24(34)18-29(27)35/h2-11,13-14,16-19H,12,15,20-21H2,1H3,(H,36,38) PVJNHUBIFGYWIU-UHFFFAOYSA-N 50331927 CHEMBL1289108::N-benzyl-2-(3-(2,4-difluorophenyl)-1-methyl-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 7027 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331927&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52945064 123111042 CHEMBL1289108 ZINC64549601 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611199 COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O InChI=1S/C19H19NO4S/c1-24-14-9-11-17-16(12-14)15(10-8-13-6-4-3-5-7-13)18(19(21)20-17)25(2,22)23/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21) BXUGBCMKSUJJPL-UHFFFAOYSA-N 50331928 6-methoxy-3-(methylsulfonyl)-4-phenethylquinolin-2(1H)-one::CHEMBL1289109 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331928&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52941597 123111043 CHEMBL1289109 ZINC64560596 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611213 CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)Nc3ccccc3)ccc2[nH]c1=O InChI=1S/C26H24N2O5S/c1-34(31,32)25-21(14-12-18-8-4-2-5-9-18)22-16-20(13-15-23(22)28-26(25)30)33-17-24(29)27-19-10-6-3-7-11-19/h2-11,13,15-16H,12,14,17H2,1H3,(H,27,29)(H,28,30) XZSDQSOTBNONQM-UHFFFAOYSA-N 50331903 2-(3-(methylsulfonyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-phenylacetamide::CHEMBL1289228 Adenosine receptor A1 Homo sapiens 1334 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331903&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52950206 123111018 CHEMBL1289228 ZINC64559628 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611214 CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCC3CC3)ccc2[nH]c1=O InChI=1S/C24H26N2O5S/c1-32(29,30)23-19(11-9-16-5-3-2-4-6-16)20-13-18(10-12-21(20)26-24(23)28)31-15-22(27)25-14-17-7-8-17/h2-6,10,12-13,17H,7-9,11,14-15H2,1H3,(H,25,27)(H,26,28) KTHZNTXIIWQWBY-UHFFFAOYSA-N 50331904 CHEMBL1289229::N-(cyclopropylmethyl)-2-(3-(methylsulfonyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331904&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52943888 123111019 CHEMBL1289229 ZINC64559631 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611215 CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O InChI=1S/C28H26Cl2N2O5S/c1-32(16-19-9-12-23(29)24(30)14-19)26(33)17-37-20-10-13-25-22(15-20)21(11-8-18-6-4-3-5-7-18)27(28(34)31-25)38(2,35)36/h3-7,9-10,12-15H,8,11,16-17H2,1-2H3,(H,31,34) JTSYTEBKLVVQPE-UHFFFAOYSA-N 50331905 CHEMBL1289343::N-(3,4-dichlorobenzyl)-N-methyl-2-(3-(methylsulfonyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 602 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331905&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52949999 123111020 CHEMBL1289343 ZINC64559810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611216 Clc1ccc(CNC(=O)COc2ccc3[nH]c(=O)c(C#N)c(CCc4ccccc4)c3c2)cc1Cl InChI=1S/C27H21Cl2N3O3/c28-23-10-7-18(12-24(23)29)15-31-26(33)16-35-19-8-11-25-21(13-19)20(22(14-30)27(34)32-25)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-13H,6,9,15-16H2,(H,31,33)(H,32,34) WGKBQTPUQRZAOZ-UHFFFAOYSA-N 50331906 2-(3-cyano-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-(3,4-dichlorobenzyl)acetamide::CHEMBL1289344 Adenosine receptor A1 Homo sapiens 1085 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331906&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52950000 123111021 CHEMBL1289344 ZINC64559813 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611217 O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1 InChI=1S/C30H26N2O4/c33-28(31-19-22-10-5-2-6-11-22)20-36-23-14-16-26-25(18-23)24(15-13-21-8-3-1-4-9-21)29(30(34)32-26)27-12-7-17-35-27/h1-12,14,16-18H,13,15,19-20H2,(H,31,33)(H,32,34) KDHZKQLELOMRGT-UHFFFAOYSA-N 50331907 CHEMBL1289461::N-benzyl-2-(3-(furan-2-yl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 436 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331907&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52950027 123111022 CHEMBL1289461 ZINC64560036 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611218 O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 InChI=1S/C29H25N3O3S/c33-26(31-18-21-9-5-2-6-10-21)19-35-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)27(28(34)32-25)29-30-15-16-36-29/h1-10,12,14-17H,11,13,18-19H2,(H,31,33)(H,32,34) HLRVOPKKWNOLIT-UHFFFAOYSA-N 50331908 CHEMBL1290436::N-benzyl-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 101 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331908&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52944930 123111023 CHEMBL1290436 ZINC64549640 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611219 O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 InChI=1S/C30H27N3O2S/c34-27(16-13-22-9-5-2-6-10-22)32-20-23-12-15-26-25(19-23)24(14-11-21-7-3-1-4-8-21)28(29(35)33-26)30-31-17-18-36-30/h1-10,12,15,17-19H,11,13-14,16,20H2,(H,32,34)(H,33,35) PFISNTYZWRKRES-UHFFFAOYSA-N 50331909 CHEMBL1290435::N-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yl)methyl)-3-phenylpropanamide Adenosine receptor A1 Homo sapiens 3253 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331909&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52946159 123111024 CHEMBL1290435 ZINC64549639 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611220 O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 InChI=1S/C29H26N4O2S/c34-27-26(28-30-15-16-36-28)23(13-11-20-7-3-1-4-8-20)24-17-22(12-14-25(24)33-27)19-32-29(35)31-18-21-9-5-2-6-10-21/h1-10,12,14-17H,11,13,18-19H2,(H,33,34)(H2,31,32,35) BEJQAFOYYGPYJA-UHFFFAOYSA-N 50331910 1-benzyl-3-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yl)methyl)urea::CHEMBL1290322 Adenosine receptor A1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331910&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948949 123111025 CHEMBL1290322 ZINC64549850 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611221 CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 InChI=1S/C31H30N4O2S/c1-31(2,23-11-7-4-8-12-23)35-30(37)33-20-22-14-16-26-25(19-22)24(15-13-21-9-5-3-6-10-21)27(28(36)34-26)29-32-17-18-38-29/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,34,36)(H2,33,35,37) YHOJGHQBFITHNN-UHFFFAOYSA-N 50331929 1-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yl)methyl)-3-(2-phenylpropan-2-yl)urea::CHEMBL1290323 Adenosine receptor A1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331929&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52946113 123111044 CHEMBL1290323 ZINC64550025 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611222 C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 InChI=1S/C30H27N3O3S/c1-20(22-10-6-3-7-11-22)32-27(34)19-36-23-13-15-26-25(18-23)24(14-12-21-8-4-2-5-9-21)28(29(35)33-26)30-31-16-17-37-30/h2-11,13,15-18,20H,12,14,19H2,1H3,(H,32,34)(H,33,35)/t20-/m0/s1 GCKQYKWLPYTZFX-FQEVSTJZSA-N 50331911 (S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(1-phenylethyl)acetamide::CHEMBL1290210 Adenosine receptor A1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331911&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52943652 123111026 CHEMBL1290210 ZINC64550042 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611223 C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 InChI=1S/C30H27N3O3S/c1-20(22-10-6-3-7-11-22)32-27(34)19-36-23-13-15-26-25(18-23)24(14-12-21-8-4-2-5-9-21)28(29(35)33-26)30-31-16-17-37-30/h2-11,13,15-18,20H,12,14,19H2,1H3,(H,32,34)(H,33,35)/t20-/m1/s1 GCKQYKWLPYTZFX-HXUWFJFHSA-N 50331912 (R)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(1-phenylethyl)acetamide::CHEMBL1290209 Adenosine receptor A1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331912&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52941244 123111027 CHEMBL1290209 ZINC64549879 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611224 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 InChI=1S/C31H29N3O3S/c1-31(2,22-11-7-4-8-12-22)34-27(35)20-37-23-14-16-26-25(19-23)24(15-13-21-9-5-3-6-10-21)28(29(36)33-26)30-32-17-18-38-30/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,33,36)(H,34,35) KPJQBHAZEKIDFC-UHFFFAOYSA-N 50331913 2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1290101 Adenosine receptor A1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331913&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 50925499 123111028 CHEMBL1290101 ZINC64559361 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611225 O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(CC1)c1ccccc1 InChI=1S/C31H27N3O3S/c35-27(34-31(15-16-31)22-9-5-2-6-10-22)20-37-23-12-14-26-25(19-23)24(13-11-21-7-3-1-4-8-21)28(29(36)33-26)30-32-17-18-38-30/h1-10,12,14,17-19H,11,13,15-16,20H2,(H,33,36)(H,34,35) MKBNUPBFSAAINL-UHFFFAOYSA-N 50331914 2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(1-phenylcyclopropyl)acetamide::CHEMBL1290001 Adenosine receptor A1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331914&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52946453 123111029 CHEMBL1290001 ZINC64559363 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611226 CC(C)(C)NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 InChI=1S/C26H27N3O3S/c1-26(2,3)29-22(30)16-32-18-10-12-21-20(15-18)19(11-9-17-7-5-4-6-8-17)23(24(31)28-21)25-27-13-14-33-25/h4-8,10,12-15H,9,11,16H2,1-3H3,(H,28,31)(H,29,30) UMNXXGXJFQHEGZ-UHFFFAOYSA-N 50331915 CHEMBL1289462::N-tert-butyl-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 1720 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331915&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52950028 123111030 CHEMBL1289462 ZINC64560039 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611227 CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1 XCNMPRNFAWIILX-SANMLTNESA-N 50331916 (S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(1-phenylpropyl)acetamide::CHEMBL1289569 Adenosine receptor A1 Homo sapiens 8.6 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331916&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52950040 123111031 CHEMBL1289569 ZINC64573296 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611228 OC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 InChI=1S/C30H27N3O4S/c34-18-26(21-9-5-2-6-10-21)32-27(35)19-37-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)28(29(36)33-25)30-31-15-16-38-30/h1-10,12,14-17,26,34H,11,13,18-19H2,(H,32,35)(H,33,36)/t26-/m0/s1 HMTLPOCMTKGSHR-SANMLTNESA-N 50331917 (R)-N-(2-hydroxy-1-phenylethyl)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)acetamide::CHEMBL1289676 Adenosine receptor A1 Homo sapiens 6.1 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331917&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52945195 123111032 CHEMBL1289676 ZINC64573266 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611229 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccccn3)c(CCc3ccccc3)c2c1)c1ccccc1 InChI=1S/C33H31N3O3/c1-33(2,24-13-7-4-8-14-24)36-30(37)22-39-25-17-19-28-27(21-25)26(18-16-23-11-5-3-6-12-23)31(32(38)35-28)29-15-9-10-20-34-29/h3-15,17,19-21H,16,18,22H2,1-2H3,(H,35,38)(H,36,37) HOXPUQHYOVYAGJ-UHFFFAOYSA-N 50331930 2-(2-oxo-4-phenethyl-3-(pyridin-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1289778 Adenosine receptor A1 Homo sapiens 1370 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331930&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52942359 123111045 CHEMBL1289778 ZINC64549743 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611230 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1 InChI=1S/C33H31N3O3/c1-33(2,25-13-7-4-8-14-25)36-30(37)22-39-26-16-18-29-28(20-26)27(17-15-23-10-5-3-6-11-23)31(32(38)35-29)24-12-9-19-34-21-24/h3-14,16,18-21H,15,17,22H2,1-2H3,(H,35,38)(H,36,37) XDSPDXZCQDPZCX-UHFFFAOYSA-N 50331931 2-(2-oxo-4-phenethyl-3-(pyridin-3-yl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1287832 Adenosine receptor A1 Homo sapiens 497 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331931&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52947301 123111046 CHEMBL1287832 ZINC64235544 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611231 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccncc3)c(CCc3ccccc3)c2c1)c1ccccc1 InChI=1S/C33H31N3O3/c1-33(2,25-11-7-4-8-12-25)36-30(37)22-39-26-14-16-29-28(21-26)27(15-13-23-9-5-3-6-10-23)31(32(38)35-29)24-17-19-34-20-18-24/h3-12,14,16-21H,13,15,22H2,1-2H3,(H,35,38)(H,36,37) ZWFIJURLONJRJJ-UHFFFAOYSA-N 50331932 2-(2-oxo-4-phenethyl-3-(pyridin-4-yl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1290002 Adenosine receptor A1 Homo sapiens 377 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331932&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52941201 123111047 CHEMBL1290002 ZINC64540222 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611232 Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O InChI=1S/C32H31N3O4/c1-21-18-28(39-35-21)30-25(16-14-22-10-6-4-7-11-22)26-19-24(15-17-27(26)33-31(30)37)38-20-29(36)34-32(2,3)23-12-8-5-9-13-23/h4-13,15,17-19H,14,16,20H2,1-3H3,(H,33,37)(H,34,36) BOFQEGROHMEPMB-UHFFFAOYSA-N 50331933 2-(3-(3-methylisoxazol-5-yl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1290102 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331933&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52946069 123111048 CHEMBL1290102 ZINC64559362 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611233 Cc1c(c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12)S(C)(=O)=O InChI=1S/C20H18Cl2N2O5S/c1-11-14-8-13(4-6-17(14)24-20(26)19(11)30(2,27)28)29-10-18(25)23-9-12-3-5-15(21)16(22)7-12/h3-8H,9-10H2,1-2H3,(H,23,25)(H,24,26) HYCLBCJCMQNVKC-UHFFFAOYSA-N 50331918 CHEMBL1290103::N-(3,4-dichlorobenzyl)-2-(4-methyl-3-(methylsulfonyl)-2-oxo-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 3914 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331918&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52949755 123111033 CHEMBL1290103 ZINC64559367 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611234 CS(=O)(=O)c1c(-c2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O InChI=1S/C25H20Cl2N2O5S/c1-35(32,33)24-23(16-5-3-2-4-6-16)18-12-17(8-10-21(18)29-25(24)31)34-14-22(30)28-13-15-7-9-19(26)20(27)11-15/h2-12H,13-14H2,1H3,(H,28,30)(H,29,31) UXXRRLRAKARNBX-UHFFFAOYSA-N 50331934 CHEMBL1290211::N-(3,4-dichlorobenzyl)-2-(3-(methylsulfonyl)-2-oxo-4-phenyl-1,2-dihydroquinolin-6-yloxy)acetamide Adenosine receptor A1 Homo sapiens 8603 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331934&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52949772 123111049 CHEMBL1290211 ZINC64573691 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611235 CC(C)CCc1c(-c2nccs2)c(=O)[nH]c2ccc(OCC(=O)NC(C)(C)c3ccccc3)cc12 InChI=1S/C28H31N3O3S/c1-18(2)10-12-21-22-16-20(11-13-23(22)30-26(33)25(21)27-29-14-15-35-27)34-17-24(32)31-28(3,4)19-8-6-5-7-9-19/h5-9,11,13-16,18H,10,12,17H2,1-4H3,(H,30,33)(H,31,32) SKEXHBJQDVIRIW-UHFFFAOYSA-N 50331935 2-(4-isopentyl-2-oxo-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1290212 Adenosine receptor A1 Homo sapiens 5999 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331935&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52942475 123111050 CHEMBL1290212 ZINC64549884 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611236 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCC(F)(F)F)c2c1)c1ccccc1 InChI=1S/C26H24F3N3O3S/c1-25(2,16-6-4-3-5-7-16)32-21(33)15-35-17-8-9-20-19(14-17)18(10-11-26(27,28)29)22(23(34)31-20)24-30-12-13-36-24/h3-9,12-14H,10-11,15H2,1-2H3,(H,31,34)(H,32,33) IXGGHXNKNILFJL-UHFFFAOYSA-N 50331936 2-(2-oxo-3-(thiazol-2-yl)-4-(3,3,3-trifluoropropyl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1290324 Adenosine receptor A1 Homo sapiens 1129 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331936&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52942501 123111051 CHEMBL1290324 ZINC64550026 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611237 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 InChI=1S/C30H27N3O4S/c1-30(2,20-9-5-3-6-10-20)33-26(34)19-37-22-13-14-25-23(17-22)24(18-36-21-11-7-4-8-12-21)27(28(35)32-25)29-31-15-16-38-29/h3-17H,18-19H2,1-2H3,(H,32,35)(H,33,34) SGRFKSNNYWYIRG-UHFFFAOYSA-N 50331919 2-(2-oxo-4-(phenoxymethyl)-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1290325 Adenosine receptor A1 Homo sapiens 183 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331919&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52946114 123111034 CHEMBL1290325 ZINC64550027 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50611238 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 InChI=1S/C31H28FN3O3S/c1-31(2,21-6-4-3-5-7-21)35-27(36)19-38-23-13-15-26-25(18-23)24(14-10-20-8-11-22(32)12-9-20)28(29(37)34-26)30-33-16-17-39-30/h3-9,11-13,15-18H,10,14,19H2,1-2H3,(H,34,37)(H,35,36) IJWDNQIFSPLHJC-UHFFFAOYSA-N 50331920 2-(4-(4-fluorophenethyl)-2-oxo-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1290437 Adenosine receptor A1 Homo sapiens 1153 ChEMBL 10.1016/j.bmcl.2010.10.030 10.7270/Q2WH2Q60 21055932 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Ligand Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331920&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 52948915 123111035 CHEMBL1290437 ZINC64539842 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50636328 Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23) AXDUXMMFIPBLRQ-UHFFFAOYSA-N 50064700 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenol::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-phenol::CHEMBL67026 Adenosine receptor A1 Homo sapiens 4440 ChEMBL 10.1016/j.bmcl.2010.11.082 10.7270/Q2RV0P0B 21185184 Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskes, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064700&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10362099 103959682 CHEMBL67026 ZINC00841354 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50636329 Nc1nc2n(CCCc3ccc(OCCCF)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H22FN7O2/c23-10-3-13-31-16-8-6-15(7-9-16)4-1-11-29-20-17(14-25-29)21-26-19(18-5-2-12-32-18)28-30(21)22(24)27-20/h2,5-9,12,14H,1,3-4,10-11,13H2,(H2,24,27) YUYZFCWSIMWYED-UHFFFAOYSA-N 50342509 7-(3-(4-(3-Fluoropropoxy)phenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL1771804 Adenosine receptor A1 Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2010.11.082 10.7270/Q2RV0P0B 21185184 Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskes, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50342509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50342509&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54581663 131345445 CHEMBL1771804 ZINC71341769 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50636330 COC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C22H21N7O4/c1-31-18(30)13-33-15-8-6-14(7-9-15)4-2-10-28-20-16(12-24-28)21-25-19(17-5-3-11-32-17)27-29(21)22(23)26-20/h3,5-9,11-12H,2,4,10,13H2,1H3,(H2,23,26) NXKIEGSMAYENNA-UHFFFAOYSA-N 50342510 CHEMBL1771805::Methyl2-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)acetate Adenosine receptor A1 Homo sapiens 4840 ChEMBL 10.1016/j.bmcl.2010.11.082 10.7270/Q2RV0P0B 21185184 Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskes, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50342510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50342510&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54583615 131345446 CHEMBL1771805 ZINC71405085 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50636331 Nc1nc2n(CCCc3ccc(OCC(O)=O)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C21H19N7O4/c22-21-25-19-15(20-24-18(26-28(20)21)16-4-2-10-31-16)11-23-27(19)9-1-3-13-5-7-14(8-6-13)32-12-17(29)30/h2,4-8,10-11H,1,3,9,12H2,(H2,22,25)(H,29,30) GSXIAHZRTUTOPR-UHFFFAOYSA-N 50342511 2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)acetic acid::CHEMBL1771806 Adenosine receptor A1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2010.11.082 10.7270/Q2RV0P0B 21185184 Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskes, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50342511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50342511&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11015572 131345447 CHEMBL1771806 ZINC71418528 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50636332 NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C23H25N9O3/c24-9-10-26-19(33)14-35-16-7-5-15(6-8-16)3-1-11-31-21-17(13-27-31)22-28-20(18-4-2-12-34-18)30-32(22)23(25)29-21/h2,4-8,12-13H,1,3,9-11,14,24H2,(H2,25,29)(H,26,33) OLHYFYRMZTYSBT-UHFFFAOYSA-N 50342512 2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)-N-(2-aminoethyl)acetamide::CHEMBL1771807 Adenosine receptor A1 Homo sapiens 1270 ChEMBL 10.1016/j.bmcl.2010.11.082 10.7270/Q2RV0P0B 21185184 Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskes, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50342512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50342512&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54584599 131345448 CHEMBL1771807 ZINC71341690 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50636333 Nc1nc2n(CCCc3ccc(OCC(=O)NCCNC(=O)CCCCC#C)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C30H33N9O4/c1-2-3-4-5-10-25(40)32-15-16-33-26(41)20-43-22-13-11-21(12-14-22)8-6-17-38-28-23(19-34-38)29-35-27(24-9-7-18-42-24)37-39(29)30(31)36-28/h1,7,9,11-14,18-19H,3-6,8,10,15-17,20H2,(H2,31,36)(H,32,40)(H,33,41) JRZQBZNLNNVCDD-UHFFFAOYSA-N 50342513 CHEMBL1771811::N-(2-(2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)acetamido)ethyl)hept-6-ynamide Adenosine receptor A1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2010.11.082 10.7270/Q2RV0P0B 21185184 Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskes, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50342513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50342513&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54580654 131345449 CHEMBL1771811 ZINC71341782 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50636334 Nc1nc2n(CCCc3ccc(OCC(=O)NCCNC(=O)CCCCc4cn(CCCCCCC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)nn4)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C57H81N15O11S/c58-56-66-54-45(55-65-53(68-72(55)56)47-14-10-28-82-47)37-62-71(54)27-9-11-41-18-20-44(21-19-41)83-39-51(76)60-24-23-59-49(74)16-6-4-12-42-38-70(69-67-42)26-8-2-1-3-13-43(73)22-29-78-31-33-80-35-36-81-34-32-79-30-25-61-50(75)17-7-5-15-48-52-46(40-84-48)63-57(77)64-52/h10,14,18-21,28,37-38,46,48,52H,1-9,11-13,15-17,22-27,29-36,39-40H2,(H2,58,66)(H,59,74)(H,60,76)(H,61,75)(H2,63,64,77)/t46-,48-,52-/m0/s1 VBXNKQUDWVBLCP-PZAUNDBVSA-N 50342514 CHEMBL1771812::N-(2-(2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)acetamido)ethyl)-5-(1-(6-(PEG4 biotinoylamido)hexyl)-1H-1,2,3-triazol-4-yl)pentanamide Adenosine receptor A1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2010.11.082 10.7270/Q2RV0P0B 21185184 Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskes, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50342514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50342514&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54583616 131345450 CHEMBL1771812 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50636335 CC(=O)NCCn1cc(CCCCC(=O)NCCNC(=O)COc2ccc(CCCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)cc2)nn1 InChI=1S/C34H41N13O5/c1-23(48)36-16-18-45-21-25(42-44-45)7-2-3-9-29(49)37-14-15-38-30(50)22-52-26-12-10-24(11-13-26)6-4-17-46-32-27(20-39-46)33-40-31(28-8-5-19-51-28)43-47(33)34(35)41-32/h5,8,10-13,19-21H,2-4,6-7,9,14-18,22H2,1H3,(H2,35,41)(H,36,48)(H,37,49)(H,38,50) TYYMLDWFIXNBON-UHFFFAOYSA-N 50342515 5-(1-(2-Acetamidoethyl)-1H-1,2,3-triazol-4-yl)-N-(2-(2-(4-(3-(5-amino-2-(furan-2-yl)-7Hpyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)acetamido)ethyl)pentanamide::CHEMBL1770169 Adenosine receptor A1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2010.11.082 10.7270/Q2RV0P0B 21185184 Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskes, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50342515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50342515&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54583714 131345451 CHEMBL1770169 ZINC72133988 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50646322 O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20) ISMLHIIGSRUCOQ-UHFFFAOYSA-N 50218922 2-Phenyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one::2-phenyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one::CHEMBL241987::cid_4962866 Adenosine receptor A1 Homo sapiens 203 ChEMBL 10.1016/j.bmc.2011.05.001 10.7270/Q2QN6736 21616671 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Squarcialupi, L; Filacchioni, G; Varani, K; Vincenzi, F; Borea, PA; Ben, DD; Lambertucci, C; Cristalli, G Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218922&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 4962866 104092381 CHEMBL241987 ZINC03888482 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50646323 Nc1nc2c(OCc3ccccc3)cccc2c2cn(nc12)-c1ccccc1 InChI=1S/C23H18N4O/c24-23-22-19(14-27(26-22)17-10-5-2-6-11-17)18-12-7-13-20(21(18)25-23)28-15-16-8-3-1-4-9-16/h1-14H,15H2,(H2,24,25) RYTYWUAOLYDWNV-UHFFFAOYSA-N 50346905 CHEMBL1795495 Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1016/j.bmc.2011.05.001 10.7270/Q2QN6736 21616671 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Squarcialupi, L; Filacchioni, G; Varani, K; Vincenzi, F; Borea, PA; Ben, DD; Lambertucci, C; Cristalli, G Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346905&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53258079 136353591 CHEMBL1795495 ZINC72177058 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50646324 Nc1nc2c(O)cccc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H12N4O/c17-16-15-12(11-7-4-8-13(21)14(11)18-16)9-20(19-15)10-5-2-1-3-6-10/h1-9,21H,(H2,17,18) FMFNBEVJSIFTMQ-UHFFFAOYSA-N 50346906 CHEMBL1795497 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1016/j.bmc.2011.05.001 10.7270/Q2QN6736 21616671 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Squarcialupi, L; Filacchioni, G; Varani, K; Vincenzi, F; Borea, PA; Ben, DD; Lambertucci, C; Cristalli, G Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346906&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53258081 136353592 CHEMBL1795497 ZINC72176852 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50646325 Nc1nc2c(Br)cccc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H11BrN4/c17-13-8-4-7-11-12-9-21(10-5-2-1-3-6-10)20-15(12)16(18)19-14(11)13/h1-9H,(H2,18,19) SLWCWKWNMJXFFV-UHFFFAOYSA-N 50346907 CHEMBL1795496 Adenosine receptor A1 Homo sapiens 300 ChEMBL 10.1016/j.bmc.2011.05.001 10.7270/Q2QN6736 21616671 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Squarcialupi, L; Filacchioni, G; Varani, K; Vincenzi, F; Borea, PA; Ben, DD; Lambertucci, C; Cristalli, G Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346907&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53258080 136353593 CHEMBL1795496 ZINC72176851 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50646327 Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18) MVHJGGYPZDDBQV-UHFFFAOYSA-N 50091117 2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL320805 Adenosine receptor A1 Homo sapiens 659 ChEMBL 10.1016/j.bmc.2011.05.001 10.7270/Q2QN6736 21616671 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Squarcialupi, L; Filacchioni, G; Varani, K; Vincenzi, F; Borea, PA; Ben, DD; Lambertucci, C; Cristalli, G Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091117&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10491577 103989503 CHEMBL320805 ZINC13672178 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50646328 Nc1nc2c(NCc3ccccc3)cccc2c2cn(nc12)-c1ccccc1 InChI=1S/C23H19N5/c24-23-22-19(15-28(27-22)17-10-5-2-6-11-17)18-12-7-13-20(21(18)26-23)25-14-16-8-3-1-4-9-16/h1-13,15,25H,14H2,(H2,24,26) STNHPPUKBIEADN-UHFFFAOYSA-N 50346908 CHEMBL1795499 Adenosine receptor A1 Homo sapiens 455 ChEMBL 10.1016/j.bmc.2011.05.001 10.7270/Q2QN6736 21616671 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Squarcialupi, L; Filacchioni, G; Varani, K; Vincenzi, F; Borea, PA; Ben, DD; Lambertucci, C; Cristalli, G Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346908&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53258185 136353594 CHEMBL1795499 ZINC72176430 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50646332 Cn1cc2c(n1)c(N)nc1c(OCc3ccccc3)cccc21 InChI=1S/C18H16N4O/c1-22-10-14-13-8-5-9-15(16(13)20-18(19)17(14)21-22)23-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,19,20) BTNNZWURLUOUIL-UHFFFAOYSA-N 50346909 CHEMBL1795502 Adenosine receptor A1 Homo sapiens 970 ChEMBL 10.1016/j.bmc.2011.05.001 10.7270/Q2QN6736 21616671 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Squarcialupi, L; Filacchioni, G; Varani, K; Vincenzi, F; Borea, PA; Ben, DD; Lambertucci, C; Cristalli, G Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346909&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56662964 136353595 CHEMBL1795502 ZINC72175727 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50630599 Cc1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)-c2ncco2)cn1 InChI=1S/C16H14N6O2/c1-9-2-3-10(7-19-9)8-22-12-6-11(15-18-4-5-24-15)20-14(17)13(12)21-16(22)23/h2-7H,8H2,1H3,(H2,17,20)(H,21,23) NDEKCXPPYOYMCC-UHFFFAOYSA-N 50340226 4-amino-1-((6-methylpyridin-3-yl)methyl)-6-(oxazol-2-yl)-1H-imidazo[4,5-c]pyridin-2(3H)-one::CHEMBL1760580 Adenosine receptor A1 Homo sapiens 970 ChEMBL 10.1016/j.bmcl.2011.02.092 10.7270/Q2W66M2C 21419626 Tran, TD; Pryde, DC; Jones, P; Adam, FM; Benson, N; Bish, G; Calo, F; Ciaramella, G; Dixon, R; Duckworth, J; Fox, DN; Hay, DA; Hitchin, J; Horscroft, N; Howard, M; Gardner, I; Jones, HM; Laxton, C; Parkinson, T; Parsons, G; Proctor, K; Smith, MC; Smith, N; Thomas, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340226&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49771648 131343162 CHEMBL1760580 ZINC71330993 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50630600 Cc1coc(n1)-c1cc2n(Cc3ccc(C)nc3)c(=O)[nH]c2c(N)n1 InChI=1S/C17H16N6O2/c1-9-3-4-11(6-19-9)7-23-13-5-12(16-20-10(2)8-25-16)21-15(18)14(13)22-17(23)24/h3-6,8H,7H2,1-2H3,(H2,18,21)(H,22,24) WKNCPEMDEPQBEC-UHFFFAOYSA-N 50340223 4-amino-6-(4-methyloxazol-2-yl)-1-((6-methylpyridin-3-yl)methyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one::CHEMBL1760581 Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2011.02.092 10.7270/Q2W66M2C 21419626 Tran, TD; Pryde, DC; Jones, P; Adam, FM; Benson, N; Bish, G; Calo, F; Ciaramella, G; Dixon, R; Duckworth, J; Fox, DN; Hay, DA; Hitchin, J; Horscroft, N; Howard, M; Gardner, I; Jones, HM; Laxton, C; Parkinson, T; Parsons, G; Proctor, K; Smith, MC; Smith, N; Thomas, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340223&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49771651 131343159 CHEMBL1760581 ZINC71316361 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50630601 Cc1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)-n2nccn2)cn1 InChI=1S/C15H14N8O/c1-9-2-3-10(7-17-9)8-22-11-6-12(23-18-4-5-19-23)20-14(16)13(11)21-15(22)24/h2-7H,8H2,1H3,(H2,16,20)(H,21,24) ODSUERSBEVFOKL-UHFFFAOYSA-N 50340221 4-amino-1-((6-methylpyridin-3-yl)methyl)-6-(2H-1,2,3-triazol-2-yl)-1H-imidazo[4,5-c]pyridin-2(3H)-one::CHEMBL1760582 Adenosine receptor A1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2011.02.092 10.7270/Q2W66M2C 21419626 Tran, TD; Pryde, DC; Jones, P; Adam, FM; Benson, N; Bish, G; Calo, F; Ciaramella, G; Dixon, R; Duckworth, J; Fox, DN; Hay, DA; Hitchin, J; Horscroft, N; Howard, M; Gardner, I; Jones, HM; Laxton, C; Parkinson, T; Parsons, G; Proctor, K; Smith, MC; Smith, N; Thomas, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340221&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54585937 131343157 CHEMBL1760582 ZINC71329530 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50630602 Cc1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)-n2cccn2)cn1 InChI=1S/C16H15N7O/c1-10-3-4-11(8-18-10)9-22-12-7-13(23-6-2-5-19-23)20-15(17)14(12)21-16(22)24/h2-8H,9H2,1H3,(H2,17,20)(H,21,24) IWIIEGCJOFYIEZ-UHFFFAOYSA-N 50340230 4-amino-1-((6-methylpyridin-3-yl)methyl)-6-(1H-pyrazol-1-yl)-1H-imidazo[4,5-c]pyridin-2(3H)-one::CHEMBL1760583 Adenosine receptor A1 Homo sapiens 2800 ChEMBL 10.1016/j.bmcl.2011.02.092 10.7270/Q2W66M2C 21419626 Tran, TD; Pryde, DC; Jones, P; Adam, FM; Benson, N; Bish, G; Calo, F; Ciaramella, G; Dixon, R; Duckworth, J; Fox, DN; Hay, DA; Hitchin, J; Horscroft, N; Howard, M; Gardner, I; Jones, HM; Laxton, C; Parkinson, T; Parsons, G; Proctor, K; Smith, MC; Smith, N; Thomas, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340230&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54584981 131343166 CHEMBL1760583 ZINC71317757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633005 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 14487 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenine-beta-D-arabinofuranoside::Adenosine::CHEMBL477::N6-Methylado::[U-14C]adenosine::cid_191::cid_60961 Adenosine receptor A1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14487&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ADN 4LCA,4LC4,3KW2,4IMA,1FMO,6RVZ,7R39,4JKU,4JKS,1Q97,1PG2,2GL0,6FBO,6FBP,4D9H,4O0W,4O0U,4O0S,4PGF,7LD3,5M5K,1XWF,4LBX,4LBG,3REQ,7DCW,6D9H,3UQ6,3F8W,1PK7,5B6I,5US8,7T6F,4CKJ,4CKI,4PFJ,1DGM,1N3Z,4OGR,5M66,4LVC,1WU8,3G1U,1VHW,2EVA,1MRJ,1MRG,1BX4,2C49,8AXZ,4PEV,2A8T,2X1L,3N58,4IP7,2W03,1RMT,2FQY,1LII,1LIK,4PD9,5TDM,6EXI,7O5L,6BQ4,5LW1,5XOO,5KB6,5KB5,3OND,2X0P,2YDO,4ZME,7O5M,3WDM,5TDZ,6SHU,3UBO,7ZD9,5UTU,3QGZ,8HDP,5MVS,2ZBV,2ZBU,8BZV,7LD4,6Y9U,6SO9,5AXA,7BF3,3U40,3UAY,3UAW,8EWY,2JC9,6FEK,5TOW,1YI4,2B82,6F3M,6F3N,4DC3,5A1I,5KM9,5LVN,3GRV,2KQD,2KQE,1MUO,2AC7,2PKM,4K87,4K8P,4K8T,4K8C,4K8K,4X3M,3AY0,6BNI,6WKS,6J5Z,6GBN,1Z37,5HJI,7ZD8,7ZD7,7ZD4,7ZD3,7ZD2,7ZD1,7ZD0,3O1X,3O1C,7F7C,1JDV,1JG2,3VAQ,6NRZ,4K9C,4K9I,4K93,4KBE,3AXZ,2ZGW,7MXC,3O0Q,3H9U,4E3A,5HM8,3OI8,4KTV,3VAS,1ODI,3FUU,2OA1,4XDR,4O8J,7F7D,2DOJ,6APH,1V8B,1D4F,5AQF,5UVM,6UK3,2EJG,2EJF,2B8J,3CE6,5V96,5AQY,6TTP,3QWU,2Q6K,6HXS,1UAY,4UCI,1JG3,4H2F,4H2G,6FCD,6P9V,2PGF,4DTA,4DT8,3ZTV,4KAH,4KAL,4KAN,4KAD,4XJ7,6YMJ,4N09,2Q83,1HO5,7P7F 60961 172097241 16335 CHEMBL477 DB00640 C00212 ZINC02169830 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633007 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C26H27F3N4O4S/c1-4-33(15(2)34)19-8-9-20(37-3)21-22(19)38-25(30-21)31-23(35)16-10-12-32(13-11-16)24(36)17-6-5-7-18(14-17)26(27,28)29/h5-9,14,16H,4,10-13H2,1-3H3,(H,30,31,35) OIGDRCCZIWXBKD-UHFFFAOYSA-N 50341186 CHEMBL1760892::N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)benzoyl)piperidine-4-carboxamide Adenosine receptor A1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341186&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54584124 131344122 CHEMBL1760892 ZINC71296492 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633010 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C25H27F3N4O3S/c1-4-32(15(2)33)19-8-9-20(35-3)21-22(19)36-23(29-21)30-24(34)31-12-10-16(11-13-31)17-6-5-7-18(14-17)25(26,27)28/h5-9,14,16H,4,10-13H2,1-3H3,(H,29,30,34) MCOQRPPGECKENM-UHFFFAOYSA-N 50341187 CHEMBL1760900::N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)phenyl)piperidine-1-carboxamide Adenosine receptor A1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341187&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54585058 131344123 CHEMBL1760900 ZINC71316749 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633013 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12 InChI=1S/C24H22F3N5O3S/c1-4-32(14(2)33)18-8-9-19(35-3)20-21(18)36-23(29-20)30-22(34)16-11-28-31(13-16)12-15-6-5-7-17(10-15)24(25,26)27/h5-11,13H,4,12H2,1-3H3,(H,29,30,34) CEABWOSUDRMZCJ-UHFFFAOYSA-N 50321522 CHEMBL1171164::N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)benzyl)-1H-pyrazole-4-carboxamide Adenosine receptor A1 Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321522&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 49797905 104143051 CHEMBL1171164 ZINC53242965 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633014 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18- AEALLVSFYNMBHG-SAABIXHNSA-N 50341189 CHEMBL1760896::trans-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)phenylsulfonamido)cyclohexanecarboxamide Adenosine receptor A1 Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341189&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54581142 131344125 CHEMBL1760896 ZINC71318141 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633015 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C27H29F3N4O4S/c1-4-34(15(2)35)20-12-13-21(38-3)22-23(20)39-26(32-22)33-24(36)16-8-10-19(11-9-16)31-25(37)17-6-5-7-18(14-17)27(28,29)30/h5-7,12-14,16,19H,4,8-11H2,1-3H3,(H,31,37)(H,32,33,36)/t16-,19- FWKFATKZZMGGCU-RUCARUNLSA-N 50341190 CHEMBL1760895::trans-N-(4-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-ylcarbamoyl)cyclohexyl)-3-(trifluoromethyl)benzamide Adenosine receptor A1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54585057 131344126 CHEMBL1760895 ZINC71315962 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633020 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(c4)C(F)(F)F)CC3)sc12 InChI=1S/C26H29F3N4O3S/c1-4-33(16(2)34)20-8-9-21(36-3)22-23(20)37-25(30-22)31-24(35)18-10-12-32(13-11-18)15-17-6-5-7-19(14-17)26(27,28)29/h5-9,14,18H,4,10-13,15H2,1-3H3,(H,30,31,35) OMVHCFMRXIFNMI-UHFFFAOYSA-N 50341193 CHEMBL1760894::N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)benzyl)piperidine-4-carboxamide Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341193&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54580150 131344129 CHEMBL1760894 ZINC71318577 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633029 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(CC3)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C25H27F3N4O4S/c1-4-32(15(2)33)18-8-9-19(36-3)20-21(18)37-22(29-20)30-23(34)31-12-10-24(35,11-13-31)16-6-5-7-17(14-16)25(26,27)28/h5-9,14,35H,4,10-13H2,1-3H3,(H,29,30,34) SNJRGPSAULQWEJ-UHFFFAOYSA-N 50341188 CHEMBL1760899::N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidine-1-carboxamide Adenosine receptor A1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341188&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53248700 131344124 CHEMBL1760899 ZINC71318129 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633031 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C27H29F3N4O4S/c1-4-34(15(2)35)20-12-13-21(38-3)22-23(20)39-26(32-22)33-24(36)16-8-10-19(11-9-16)31-25(37)17-6-5-7-18(14-17)27(28,29)30/h5-7,12-14,16,19H,4,8-11H2,1-3H3,(H,31,37)(H,32,33,36)/t16-,19+ FWKFATKZZMGGCU-UWUNEBHHSA-N 50341199 CHEMBL1760898::cis-N-(4-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-ylcarbamoyl)cyclohexyl)-3-(trifluoromethyl)benzamide Adenosine receptor A1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341199&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54585057 131344135 CHEMBL1760898 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633037 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18-/m1/s1 NCWRSHWNMYHJMN-SJLPKXTDSA-N 50341192 CHEMBL1760889::trans-N-((1R,3R)-3-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-ylcarbamoyl)cyclopentyl)-3-(trifluoromethyl)benzamide Adenosine receptor A1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341192&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54581143 131344128 CHEMBL1760889 ZINC71319276 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633042 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18+ AEALLVSFYNMBHG-MAEOIBBWSA-N 50341195 CHEMBL1760884::cis-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)phenylsulfonamido)cyclohexanecarboxamide Adenosine receptor A1 Homo sapiens 46 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341195&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54581142 131344131 CHEMBL1760884 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633050 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18+/m1/s1 NCWRSHWNMYHJMN-AEFFLSMTSA-N 50341191 CHEMBL1760888::cis-N-((1S,3R)-3-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-ylcarbamoyl)cyclopentyl)-3-(trifluoromethyl)benzamide Adenosine receptor A1 Homo sapiens 61 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341191&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54582166 131344127 CHEMBL1760888 ZINC71329965 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633051 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12 InChI=1S/C27H31F3N4O3S/c1-4-34(16(2)35)21-12-13-22(37-3)23-24(21)38-26(32-23)33-25(36)18-8-10-20(11-9-18)31-15-17-6-5-7-19(14-17)27(28,29)30/h5-7,12-14,18,20,31H,4,8-11,15H2,1-3H3,(H,32,33,36)/t18-,20- MPOIRUJPRXFPTI-KESTWPANSA-N 50341196 CHEMBL1760897::trans-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)benzylamino)cyclohexanecarboxamide 2,2,2-trifluoroacetate Adenosine receptor A1 Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341196&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53248699 131344132 CHEMBL1760897 ZINC71295780 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633053 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C25H27F3N4O5S2/c1-4-32(15(2)33)19-8-9-20(37-3)21-22(19)38-24(29-21)30-23(34)16-10-12-31(13-11-16)39(35,36)18-7-5-6-17(14-18)25(26,27)28/h5-9,14,16H,4,10-13H2,1-3H3,(H,29,30,34) DSTBNUILTCRZAL-UHFFFAOYSA-N 50341202 CHEMBL1760893::N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidine-4-carboxamide Adenosine receptor A1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341202&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54584125 131344138 CHEMBL1760893 ZINC71316298 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633056 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24) CPBGMRFHFZVCLS-UHFFFAOYSA-N 50321518 CHEMBL1170367::N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321518&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46911060 104143047 CHEMBL1170367 ZINC53276549 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633057 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C25H25F3N4O4S/c1-4-32(14(2)33)18-8-9-19(36-3)20-21(18)37-24(29-20)30-22(34)16-10-11-31(13-16)23(35)15-6-5-7-17(12-15)25(26,27)28/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,29,30,34)/t16-/m1/s1 MWHCPHOXOKDGTO-MRXNPFEDSA-N 50341194 (R)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)benzoyl)pyrrolidine-3-carboxamide::CHEMBL1760886 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341194&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53248698 131344130 CHEMBL1760886 ZINC71317099 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633059 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C25H25F3N4O4S/c1-4-32(14(2)33)18-8-9-19(36-3)20-21(18)37-24(29-20)30-22(34)16-10-11-31(13-16)23(35)15-6-5-7-17(12-15)25(26,27)28/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,29,30,34)/t16-/m0/s1 MWHCPHOXOKDGTO-INIZCTEOSA-N 50341200 (S)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)benzoyl)pyrrolidine-3-carboxamide::CHEMBL1760887 Adenosine receptor A1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341200&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54586036 131344136 CHEMBL1760887 ZINC71318557 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633064 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NCc3cccc(c3)C(F)(F)F)sc12 InChI=1S/C26H29F3N4O3S/c1-4-33(15(2)34)20-10-11-21(36-3)22-23(20)37-25(31-22)32-24(35)17-8-9-19(13-17)30-14-16-6-5-7-18(12-16)26(27,28)29/h5-7,10-12,17,19,30H,4,8-9,13-14H2,1-3H3,(H,31,32,35)/t17-,19+/m1/s1 WOGFEHLAXZBDOW-MJGOQNOKSA-N 50341197 CHEMBL1760891::cis-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-3-(3-(trifluoromethyl)benzylamino)cyclopentanecarboxamide 2,2,2-trifluoroacetate Adenosine receptor A1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341197&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54583134 131344133 CHEMBL1760891 ZINC71282081 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633065 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C24H25F3N4O5S2/c1-4-31(14(2)32)18-8-9-19(36-3)20-21(18)37-23(28-20)29-22(33)15-10-11-30(13-15)38(34,35)17-7-5-6-16(12-17)24(25,26)27/h5-9,12,15H,4,10-11,13H2,1-3H3,(H,28,29,33)/t15-/m1/s1 XOUCNJWVWYHRJZ-OAHLLOKOSA-N 50341201 (R)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)phenylsulfonyl)pyrrolidine-3-carboxamide::CHEMBL1760885 Adenosine receptor A1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341201&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54587015 131344137 CHEMBL1760885 ZINC71317421 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633074 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 InChI=1S/C25H27F3N4O5S2/c1-4-32(15(2)33)19-8-9-20(37-3)21-22(19)38-23(29-21)30-24(34)31-12-10-17(11-13-31)39(35,36)18-7-5-6-16(14-18)25(26,27)28/h5-9,14,17H,4,10-13H2,1-3H3,(H,29,30,34) RFLPGTYGRYHDNX-UHFFFAOYSA-N 50341198 CHEMBL1760901::N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)phenylsulfonyl)piperidine-1-carboxamide Adenosine receptor A1 Homo sapiens 690 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341198&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53242165 131344134 CHEMBL1760901 ZINC71296491 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50633078 COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 InChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23) BAHHPLVRJISHAN-UHFFFAOYSA-N 50321524 CHEMBL1170518::N-(7-acetamido-4-methoxybenzo[d]thiazol-2-yl)-4-fluorobenzamide Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2011.02.053 10.7270/Q2959HWD 21388809 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Roche Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321524&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 22283414 104143053 CHEMBL1170518 ZINC53294126 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648900 CC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-10(3)8-23(14)16(22)24)18-13(19-15)11-7-9(2)20-21(11)4/h5,7,10,17H,1,6,8H2,2-4H3 QGTHMDIYFXYSFA-UHFFFAOYSA-N 50348144 CHEMBL1800733 Adenosine receptor A1 Homo sapiens 2040 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348144&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388379 136354830 CHEMBL1800733 ZINC72109125 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648901 C[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-10(3)8-23(14)16(22)24)18-13(19-15)11-7-9(2)20-21(11)4/h5,7,10,17H,1,6,8H2,2-4H3/t10-/m1/s1 QGTHMDIYFXYSFA-SNVBAGLBSA-N 50348145 CHEMBL1800734 Adenosine receptor A1 Homo sapiens 2510 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348145&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53387257 136354831 CHEMBL1800734 ZINC72109124 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648902 C[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-10(3)8-23(14)16(22)24)18-13(19-15)11-7-9(2)20-21(11)4/h5,7,10,17H,1,6,8H2,2-4H3/t10-/m0/s1 QGTHMDIYFXYSFA-JTQLQIEISA-N 50348146 CHEMBL1800735 Adenosine receptor A1 Homo sapiens 1960 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348146&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53387258 136354832 CHEMBL1800735 ZINC72109125 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648903 CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C InChI=1S/C17H21N7O/c1-5-7-23-16-13(15-18-11(6-2)9-24(15)17(23)25)19-14(20-16)12-8-10(3)21-22(12)4/h5,8,11,18H,1,6-7,9H2,2-4H3 NOPLGTQQMKAOBP-UHFFFAOYSA-N 50348147 CHEMBL1800736 Adenosine receptor A1 Homo sapiens 515 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348147&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388380 136354833 CHEMBL1800736 ZINC72110305 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648904 CC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C InChI=1S/C20H21N7O/c1-12-9-15(25(3)24-12)17-22-16-18-21-13(2)10-26(18)20(28)27(19(16)23-17)11-14-7-5-4-6-8-14/h4-9,13H,10-11H2,1-3H3,(H,22,23) ASPRGIZZIKFUIQ-UHFFFAOYSA-N 50348148 CHEMBL1800737 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348148&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388381 136354834 CHEMBL1800737 ZINC72111267 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648905 CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C InChI=1S/C21H23N7O/c1-4-15-12-28-19(22-15)17-20(24-18(23-17)16-10-13(2)25-26(16)3)27(21(28)29)11-14-8-6-5-7-9-14/h5-10,15H,4,11-12H2,1-3H3,(H,23,24) WORWRFFHAOPSQM-UHFFFAOYSA-N 50348149 CHEMBL1800738 Adenosine receptor A1 Homo sapiens 615 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348149&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388539 136354835 CHEMBL1800738 ZINC72111099 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648906 CC[C@@H]1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C InChI=1S/C21H23N7O/c1-4-15-12-28-19(22-15)17-20(24-18(23-17)16-10-13(2)25-26(16)3)27(21(28)29)11-14-8-6-5-7-9-14/h5-10,15H,4,11-12H2,1-3H3,(H,23,24)/t15-/m1/s1 WORWRFFHAOPSQM-OAHLLOKOSA-N 50348150 CHEMBL1800739 Adenosine receptor A1 Homo sapiens 803 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348150&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53387412 136354836 CHEMBL1800739 ZINC72111099 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648907 CC[C@H]1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C InChI=1S/C21H23N7O/c1-4-15-12-28-19(22-15)17-20(24-18(23-17)16-10-13(2)25-26(16)3)27(21(28)29)11-14-8-6-5-7-9-14/h5-10,15H,4,11-12H2,1-3H3,(H,23,24)/t15-/m0/s1 WORWRFFHAOPSQM-HNNXBMFYSA-N 50348151 CHEMBL1800740 Adenosine receptor A1 Homo sapiens 545 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348151&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53387413 136354837 CHEMBL1800740 ZINC72109238 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648908 COc1cc(-c2nc3c4NC(C)Cn4c(=O)n(CC=C)c3n2)n(C)n1 InChI=1S/C16H19N7O2/c1-5-6-22-15-12(14-17-9(2)8-23(14)16(22)24)18-13(19-15)10-7-11(25-4)20-21(10)3/h5,7,9,17H,1,6,8H2,2-4H3 VQWYZOIMUYRMFO-UHFFFAOYSA-N 50348152 CHEMBL1800781 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348152&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388540 136354838 CHEMBL1800781 ZINC72109698 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648909 CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3 ANARBNFHRFJIQR-UHFFFAOYSA-N 50348153 CHEMBL1800782 Adenosine receptor A1 Homo sapiens 1530 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348153&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388541 136354839 CHEMBL1800782 ZINC72109779 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648910 CC[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3/t10-/m1/s1 ANARBNFHRFJIQR-SNVBAGLBSA-N 50348154 CHEMBL1800783 Adenosine receptor A1 Homo sapiens 2525 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348154&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53380488 136354840 CHEMBL1800783 ZINC72109195 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648911 CC[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3/t10-/m0/s1 ANARBNFHRFJIQR-JTQLQIEISA-N 50348155 CHEMBL1800784 Adenosine receptor A1 Homo sapiens 1078 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348155&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53387414 136354841 CHEMBL1800784 ZINC72109779 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648912 COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4CC(C)N=C4c3[nH]2)n(C)n1 InChI=1S/C20H21N7O2/c1-12-10-26-18(21-12)16-19(27(20(26)28)11-13-7-5-4-6-8-13)23-17(22-16)14-9-15(29-3)24-25(14)2/h4-9,12H,10-11H2,1-3H3,(H,22,23) GUQZGHDGKRREHX-UHFFFAOYSA-N 50348156 CHEMBL1800785 Adenosine receptor A1 Homo sapiens 1900 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348156&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388542 136354842 CHEMBL1800785 ZINC72110110 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648913 COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4C[C@@H](C)N=C4c3[nH]2)n(C)n1 InChI=1S/C20H21N7O2/c1-12-10-26-18(21-12)16-19(27(20(26)28)11-13-7-5-4-6-8-13)23-17(22-16)14-9-15(29-3)24-25(14)2/h4-9,12H,10-11H2,1-3H3,(H,22,23)/t12-/m1/s1 GUQZGHDGKRREHX-GFCCVEGCSA-N 50348157 CHEMBL1800786 Adenosine receptor A1 Homo sapiens 2550 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348157&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53387415 136354843 CHEMBL1800786 ZINC72110110 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648914 COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4C[C@H](C)N=C4c3[nH]2)n(C)n1 InChI=1S/C20H21N7O2/c1-12-10-26-18(21-12)16-19(27(20(26)28)11-13-7-5-4-6-8-13)23-17(22-16)14-9-15(29-3)24-25(14)2/h4-9,12H,10-11H2,1-3H3,(H,22,23)/t12-/m0/s1 GUQZGHDGKRREHX-LBPRGKRZSA-N 50348158 CHEMBL1800787 Adenosine receptor A1 Homo sapiens 1730 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348158&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53387416 136354844 CHEMBL1800787 ZINC72109196 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648915 CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OC)nn1C InChI=1S/C21H23N7O2/c1-4-14-12-28-19(22-14)17-20(27(21(28)29)11-13-8-6-5-7-9-13)24-18(23-17)15-10-16(30-3)25-26(15)2/h5-10,14H,4,11-12H2,1-3H3,(H,23,24) NREAVSHWXOMIDU-UHFFFAOYSA-N 50348159 CHEMBL1800788 Adenosine receptor A1 Homo sapiens 405 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348159&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388543 136354845 CHEMBL1800788 ZINC72112075 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648916 CC1CN2C(=N1)c1[nH]c(nc1N(CC=C)C2=O)-c1cc(OCc2ccccc2)nn1C InChI=1S/C22H23N7O2/c1-4-10-28-21-18(20-23-14(2)12-29(20)22(28)30)24-19(25-21)16-11-17(26-27(16)3)31-13-15-8-6-5-7-9-15/h4-9,11,14H,1,10,12-13H2,2-3H3,(H,24,25) TULQMGBITLITRW-UHFFFAOYSA-N 50348160 CHEMBL1800789 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348160&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388544 136354846 CHEMBL1800789 ZINC72112552 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648917 CCC1CN2C(=N1)c1[nH]c(nc1N(CC=C)C2=O)-c1cc(OCc2ccccc2)nn1C InChI=1S/C23H25N7O2/c1-4-11-29-22-19(21-24-16(5-2)13-30(21)23(29)31)25-20(26-22)17-12-18(27-28(17)3)32-14-15-9-7-6-8-10-15/h4,6-10,12,16H,1,5,11,13-14H2,2-3H3,(H,25,26) ULXDNGNUXJFVHV-UHFFFAOYSA-N 50348166 CHEMBL1800790 Adenosine receptor A1 Homo sapiens 1200 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348166&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388687 136354852 CHEMBL1800790 ZINC72112621 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648918 CC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OCc2ccccc2)nn1C InChI=1S/C26H25N7O2/c1-17-14-32-24(27-17)22-25(33(26(32)34)15-18-9-5-3-6-10-18)29-23(28-22)20-13-21(30-31(20)2)35-16-19-11-7-4-8-12-19/h3-13,17H,14-16H2,1-2H3,(H,28,29) AVCVCCQJIMUKOJ-UHFFFAOYSA-N 50348167 CHEMBL1800791 Adenosine receptor A1 Homo sapiens 2560 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348167&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388688 136354853 CHEMBL1800791 ZINC72110836 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648919 CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OCc2ccccc2)nn1C InChI=1S/C27H27N7O2/c1-3-20-16-34-25(28-20)23-26(33(27(34)35)15-18-10-6-4-7-11-18)30-24(29-23)21-14-22(31-32(21)2)36-17-19-12-8-5-9-13-19/h4-14,20H,3,15-17H2,1-2H3,(H,29,30) QIQMUHOXVRMANV-UHFFFAOYSA-N 50348168 CHEMBL1800792 Adenosine receptor A1 Homo sapiens 1680 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348168&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388689 136354854 CHEMBL1800792 ZINC72111502 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648920 CC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-9(2)8-23(14)16(22)24)18-13(19-15)11-7-10(3)21(4)20-11/h5,7,9,17H,1,6,8H2,2-4H3 ONXSAAKGTYBSMF-UHFFFAOYSA-N 50348169 CHEMBL1800793 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348169&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388690 136354855 CHEMBL1800793 ZINC72107922 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648921 CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 InChI=1S/C17H21N7O/c1-5-7-23-16-13(15-18-11(6-2)9-24(15)17(23)25)19-14(20-16)12-8-10(3)22(4)21-12/h5,8,11,18H,1,6-7,9H2,2-4H3 RDFUOQWXBKMFPT-UHFFFAOYSA-N 50348170 CHEMBL1800794 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348170&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388691 136354856 CHEMBL1800794 ZINC72107863 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648922 C[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-9(2)8-23(14)16(22)24)18-13(19-15)11-7-10(3)21(4)20-11/h5,7,9,17H,1,6,8H2,2-4H3/t9-/m1/s1 ONXSAAKGTYBSMF-SECBINFHSA-N 50348171 CHEMBL1800795 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348171&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56673890 136354857 CHEMBL1800795 ZINC72107921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648923 C[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-9(2)8-23(14)16(22)24)18-13(19-15)11-7-10(3)21(4)20-11/h5,7,9,17H,1,6,8H2,2-4H3/t9-/m0/s1 ONXSAAKGTYBSMF-VIFPVBQESA-N 50348172 CHEMBL1800796 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348172&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56683863 136354858 CHEMBL1800796 ZINC72107922 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648924 CC1Cn2c(N1)c1nc(nc1n(Cc1ccccc1)c2=O)-c1cc(C)n(C)n1 InChI=1S/C20H21N7O/c1-12-10-26-18(21-12)16-19(23-17(22-16)15-9-13(2)25(3)24-15)27(20(26)28)11-14-7-5-4-6-8-14/h4-9,12,21H,10-11H2,1-3H3 SVRQCMHHKLHTJS-UHFFFAOYSA-N 50348173 CHEMBL1800797 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388692 136354859 CHEMBL1800797 ZINC72107924 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648925 CCC1Cn2c(N1)c1nc(nc1n(Cc1ccccc1)c2=O)-c1cc(C)n(C)n1 InChI=1S/C21H23N7O/c1-4-15-12-28-19(22-15)17-20(24-18(23-17)16-10-13(2)26(3)25-16)27(21(28)29)11-14-8-6-5-7-9-14/h5-10,15,22H,4,11-12H2,1-3H3 SRFGPAUEEQHCDW-UHFFFAOYSA-N 50348161 CHEMBL1800798 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348161&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388831 136354847 CHEMBL1800798 ZINC72107973 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648926 COc1cc(on1)-c1nc2c3NC(C)Cn3c(=O)n(CC=C)c2n1 InChI=1S/C15H16N6O3/c1-4-5-20-14-11(13-16-8(2)7-21(13)15(20)22)17-12(18-14)9-6-10(23-3)19-24-9/h4,6,8,16H,1,5,7H2,2-3H3 LLZBIKBRWGKDAP-UHFFFAOYSA-N 50348162 CHEMBL1800861 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348162&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388832 136354848 CHEMBL1800861 ZINC72110030 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648927 CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)no1 InChI=1S/C16H18N6O3/c1-4-6-21-15-12(14-17-9(5-2)8-22(14)16(21)23)18-13(19-15)10-7-11(24-3)20-25-10/h4,7,9,17H,1,5-6,8H2,2-3H3 IDBPDHSANMJTDV-UHFFFAOYSA-N 50348163 CHEMBL1800862 Adenosine receptor A1 Homo sapiens 3023 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348163&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388833 136354849 CHEMBL1800862 ZINC72108904 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648928 COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1 InChI=1S/C19H18N6O3/c1-11-9-24-17(20-11)15-18(22-16(21-15)13-8-14(27-2)23-28-13)25(19(24)26)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,21,22) TZUCWLTXMJAOCP-UHFFFAOYSA-N 50348164 CHEMBL1800863 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348164&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388834 136354850 CHEMBL1800863 ZINC72108906 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50648929 CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OC)no1 InChI=1S/C20H20N6O3/c1-3-13-11-26-18(21-13)16-19(23-17(22-16)14-9-15(28-2)24-29-14)25(20(26)27)10-12-7-5-4-6-8-12/h4-9,13H,3,10-11H2,1-2H3,(H,22,23) BQKYZCOYBSFRCQ-UHFFFAOYSA-N 50348165 CHEMBL1800864 Adenosine receptor A1 Homo sapiens 485 ChEMBL 10.1021/jm2004738 10.7270/Q21N81G6 21675777 Baraldi, PG; Preti, D; Zaid, AN; Saponaro, G; Tabrizi, MA; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Cosconati, S; Di Maro, S; Marinelli, L; Novellino, E; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50348165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50348165&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 53388835 136354851 CHEMBL1800864 ZINC72108968 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665047 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)C(F)(F)F InChI=1S/C14H10F3N7/c1-23-6-9-11(21-23)20-13(18)24-12(9)19-10(22-24)7-2-4-8(5-3-7)14(15,16)17/h2-6H,1H3,(H2,18,20,21) KDGPRHWWBZBOLO-UHFFFAOYSA-N 50355162 CHEMBL1834573 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355162&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56657920 136361848 CHEMBL1834573 ZINC72140805 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665048 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 InChI=1S/C19H15N7/c1-25-11-15-17(23-25)22-19(20)26-18(15)21-16(24-26)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22,23) NBFUWAZCTFNPEH-UHFFFAOYSA-N 50355163 CHEMBL1834621 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355163&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56668410 136361849 CHEMBL1834621 ZINC72126258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665049 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 InChI=1S/C20H15ClN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) GPKBJJOYVKRXDL-UHFFFAOYSA-N 50355164 CHEMBL1834622 Adenosine receptor A1 Homo sapiens 5550 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355164&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56675297 136361850 CHEMBL1834622 ZINC72126259 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665050 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 InChI=1S/C20H15BrN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) IANWPTGPFXUVHR-UHFFFAOYSA-N 50355165 CHEMBL1834623 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355165&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56675298 136361851 CHEMBL1834623 ZINC72126972 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665051 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F InChI=1S/C21H15F3N8O/c1-31-11-15-17(29-31)27-19(28-20(33)25-14-5-3-2-4-6-14)32-18(15)26-16(30-32)12-7-9-13(10-8-12)21(22,23)24/h2-11H,1H3,(H2,25,27,28,29,33) HOFPPTWCRGPGPM-UHFFFAOYSA-N 50355166 CHEMBL1834624 Adenosine receptor A1 Homo sapiens 12900 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355166&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56668411 136361852 CHEMBL1834624 ZINC72126977 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665052 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 InChI=1S/C26H20N8O/c1-33-16-21-23(31-33)29-25(30-26(35)27-20-10-6-3-7-11-20)34-24(21)28-22(32-34)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-16H,1H3,(H2,27,29,30,31,35) HUMDDPHIXCVUQF-UHFFFAOYSA-N 50355167 CHEMBL1834625 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355167&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56668412 136361853 CHEMBL1834625 ZINC72126947 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665053 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Cl)cc1 InChI=1S/C20H14ClFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) QGEYZXFBILCLTO-UHFFFAOYSA-N 50355168 CHEMBL1834626 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355168&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56678638 136361854 CHEMBL1834626 ZINC72126948 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665054 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Br)cc1 InChI=1S/C20H14BrFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) KSUXXDJXSWDZQT-UHFFFAOYSA-N 50355169 CHEMBL1834627 Adenosine receptor A1 Homo sapiens >30000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355169&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56675299 136361855 CHEMBL1834627 ZINC72125983 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665055 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F InChI=1S/C21H14F4N8O/c1-32-10-15-17(30-32)28-19(29-20(34)26-14-8-6-13(22)7-9-14)33-18(15)27-16(31-33)11-2-4-12(5-3-11)21(23,24)25/h2-10H,1H3,(H2,26,28,29,30,34) IFGNHXBTZHXCAD-UHFFFAOYSA-N 50355150 CHEMBL1834628 Adenosine receptor A1 Homo sapiens 4420 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355150&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56678639 136361836 CHEMBL1834628 ZINC72125984 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665056 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 InChI=1S/C26H19FN8O/c1-34-15-21-23(32-34)30-25(31-26(36)28-20-13-11-19(27)12-14-20)35-24(21)29-22(33-35)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H2,28,30,31,32,36) NIHMMOSZQQBTLY-UHFFFAOYSA-N 50355151 CHEMBL1834629 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355151&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56671922 136361837 CHEMBL1834629 ZINC72125774 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665057 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Cl)cc2)cc1 InChI=1S/C21H17ClN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) FNZDDMLRPNSKOI-UHFFFAOYSA-N 50355152 CHEMBL1834630 Adenosine receptor A1 Homo sapiens 6490 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355152&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54754508 136361838 CHEMBL1834630 ZINC72126881 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665058 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Br)cc2)cc1 InChI=1S/C21H17BrN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) JRNKRQYSMCFYPU-UHFFFAOYSA-N 50355153 CHEMBL1834694 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355153&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56681843 136361839 CHEMBL1834694 ZINC72125840 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665059 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34) AOWMFZKPFZJQQU-UHFFFAOYSA-N 50355154 CHEMBL1834695 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355154&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56675199 136361840 CHEMBL1834695 ZINC72124493 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665060 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccccc2)cc1 InChI=1S/C27H22N8O2/c1-34-16-22-24(32-34)30-26(31-27(36)28-20-12-14-21(37-2)15-13-20)35-25(22)29-23(33-35)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-16H,1-2H3,(H2,28,30,31,32,36) LDEYXGQBPXBMAV-UHFFFAOYSA-N 50355155 CHEMBL1834696 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355155&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56664888 136361841 CHEMBL1834696 ZINC72124799 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665061 Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 InChI=1S/C27H20FN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) RYBPFUFSJMUWFY-UHFFFAOYSA-N 50355156 CHEMBL1834697 Adenosine receptor A1 Homo sapiens 395 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355156&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56668308 136361842 CHEMBL1834697 ZINC72124315 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665062 Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 InChI=1S/C27H20ClN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) ZLWUFRPZUYGAQL-UHFFFAOYSA-N 50355157 CHEMBL1834698 Adenosine receptor A1 Homo sapiens 221 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355157&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56661442 136361843 CHEMBL1834698 ZINC72125721 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665063 COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 InChI=1S/C28H23N7O2/c1-37-22-14-12-20(13-15-22)24-29-26-23-18-34(17-16-19-8-4-2-5-9-19)32-25(23)30-28(35(26)33-24)31-27(36)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,30,31,32,36) XCYYIXALRSAHCM-UHFFFAOYSA-N 50355158 CHEMBL1834699 Adenosine receptor A1 Homo sapiens 831 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355158&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56661443 136361844 CHEMBL1834699 ZINC72125722 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665064 O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36) JQRNGVKMZOUSEZ-UHFFFAOYSA-N 50355159 CHEMBL1834700 Adenosine receptor A1 Homo sapiens 192 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355159&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56675200 136361845 CHEMBL1834700 ZINC72126098 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665065 Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 InChI=1S/C28H22FN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) PBCDTRNGAOFYSC-UHFFFAOYSA-N 50355160 CHEMBL1834701 Adenosine receptor A1 Homo sapiens 232 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355160&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56675201 136361846 CHEMBL1834701 ZINC72126973 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665066 Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) UMYJKAPQXPVTEH-UHFFFAOYSA-N 50343135 CHEMBL1770311::N-(2-(4-chlorophenyl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide Adenosine receptor A1 Homo sapiens 932 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50343135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50343135&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 54587662 131346071 CHEMBL1770311 ZINC71334556 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50665067 Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 InChI=1S/C28H22BrN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) RSHXMMUOXAIBLI-UHFFFAOYSA-N 50355161 CHEMBL1834702 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2011.08.026 10.7270/Q2GX4BZG 21908194 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355161&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56678498 136361847 CHEMBL1834702 ZINC72126929 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50702861 COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n21 InChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3 JGRMMBRYUDVUAI-UHFFFAOYSA-N 50357803 CHEMBL1916113 Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1021/jm2009138 10.7270/Q2125T2B 21988093 Malamas, MS; Ni, Y; Erdei, J; Stange, H; Schindler, R; Lankau, HJ; Grunwald, C; Fan, KY; Parris, K; Langen, B; Egerland, U; Hage, T; Marquis, KL; Grauer, S; Brennan, J; Navarra, R; Graf, R; Harrison, BL; Robichaud, A; Kronbach, T; Pangalos, MN; Hoefgen, N; Brandon, NJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357803&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 540 3SN7 42630191 136961827 CHEMBL1916113 ZINC72315641 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50701559 CCCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 InChI=1S/C23H30N6O4/c1-3-11-33-12-10-29-19-13-18(15-4-9-20(32-2)24-14-15)27-28-21(19)22(26-23(29)31)25-16-5-7-17(30)8-6-16/h4,9,13-14,16-17,30H,3,5-8,10-12H2,1-2H3,(H,25,26,31) PRKYJSGLTUYCPF-UHFFFAOYSA-N 50357234 CHEMBL1916475 Adenosine receptor A1 Homo sapiens 440 ChEMBL 10.1016/j.bmcl.2011.08.106 10.7270/Q2J67HB0 21955943 Hughes, RO; Maddux, T; Joseph Rogier, D; Lu, S; Walker, JK; Jon Jacobsen, E; Rumsey, JM; Zheng, Y; Macinnes, A; Bond, BR; Han, S Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357234&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57391118 136961258 CHEMBL1916475 ZINC73195563 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708658 CC(C)(C)OC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C17H22N8O3/c1-17(2,3)28-16(26)24-8-6-23(7-9-24)14-20-13(18)25-15(21-14)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22) FFKLHJYZHKRSKU-UHFFFAOYSA-N 50360198 CHEMBL1927422 Adenosine receptor A1 Homo sapiens 5400 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360198&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51050841 136964260 CHEMBL1927422 ZINC73198069 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708659 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1 InChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17) BNQUWJCMFCDGRZ-UHFFFAOYSA-N 50360199 CHEMBL1927423 Adenosine receptor A1 Homo sapiens 1940 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360199&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15729973 136964261 CHEMBL1927423 ZINC34731373 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708660 CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C15H20N8O3/c1-15(2,3)26-14(24)18-7-6-17-12-20-11(16)23-13(21-12)19-10(22-23)9-5-4-8-25-9/h4-5,8H,6-7H2,1-3H3,(H,18,24)(H3,16,17,19,20,21,22) NIGWYZLYSQCKNA-UHFFFAOYSA-N 50360196 CHEMBL1927426 Adenosine receptor A1 Homo sapiens 3730 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360196&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51050843 136964258 CHEMBL1927426 ZINC73198717 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708661 CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1 InChI=1S/C21H30N8O3/c1-21(2,3)32-20(30)24-12-14-8-6-13(7-9-14)11-23-18-26-17(22)29-19(27-18)25-16(28-29)15-5-4-10-31-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,30)(H3,22,23,25,26,27,28) UCZLQVGNTQBEQA-UHFFFAOYSA-N 50360201 CHEMBL1927427 Adenosine receptor A1 Homo sapiens 3890 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360201&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51050844 136964263 CHEMBL1927427 ZINC73198718 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708662 CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C16H22N8O3/c1-16(2,3)27-15(25)19-8-5-7-18-13-21-12(17)24-14(22-13)20-11(23-24)10-6-4-9-26-10/h4,6,9H,5,7-8H2,1-3H3,(H,19,25)(H3,17,18,20,21,22,23) FUBARNMNIIXZSL-UHFFFAOYSA-N 50360202 CHEMBL1927428 Adenosine receptor A1 Homo sapiens 344 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360202&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51050845 136964264 CHEMBL1927428 ZINC73197273 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708663 CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C18H26N8O3/c1-18(2,3)29-17(27)21-10-6-4-5-9-20-15-23-14(19)26-16(24-15)22-13(25-26)12-8-7-11-28-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,27)(H3,19,20,22,23,24,25) XYMYZZXRLDMNPU-UHFFFAOYSA-N 50360203 CHEMBL1927429 Adenosine receptor A1 Homo sapiens 963 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360203&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51050939 136964265 CHEMBL1927429 ZINC73197274 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708664 CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C19H28N8O5/c1-19(2,3)32-18(28)22-7-10-30-12-11-29-9-6-21-16-24-15(20)27-17(25-16)23-14(26-27)13-5-4-8-31-13/h4-5,8H,6-7,9-12H2,1-3H3,(H,22,28)(H3,20,21,23,24,25,26) AELSDQALOKPCDU-UHFFFAOYSA-N 50360204 CHEMBL1927430 Adenosine receptor A1 Homo sapiens 1580 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360204&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51050940 136964266 CHEMBL1927430 ZINC73197275 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708665 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1 InChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24) KPTVFLZETSRCFF-UHFFFAOYSA-N 50151183 5-(4-Benzyl-piperazin-1-yl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine::CHEMBL188897 Adenosine receptor A1 Homo sapiens 978 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151183&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11199731 104039455 CHEMBL188897 ZINC13581741 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708666 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1 InChI=1S/C19H19ClN8O/c20-14-4-1-3-13(11-14)12-26-6-8-27(9-7-26)18-23-17(21)28-19(24-18)22-16(25-28)15-5-2-10-29-15/h1-5,10-11H,6-9,12H2,(H2,21,22,23,24,25) RTXQAEFEJZZDKI-UHFFFAOYSA-N 50151201 5-[4-(3-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine::CHEMBL368488 Adenosine receptor A1 Homo sapiens 1510 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151201&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11177363 104039473 CHEMBL368488 ZINC13581752 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708667 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(F)cc2)CC1 InChI=1S/C19H19FN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25) WXWZVUNSJJMEPR-UHFFFAOYSA-N 50360205 CHEMBL1927431 Adenosine receptor A1 Homo sapiens 655 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360205&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51050941 136964267 CHEMBL1927431 ZINC82156840 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708668 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1 InChI=1S/C19H19ClN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25) RJBNWXOQBZXPPA-UHFFFAOYSA-N 50151179 5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine::CHEMBL186322 Adenosine receptor A1 Homo sapiens 220 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151179&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11154129 104039451 CHEMBL186322 ZINC13581755 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708669 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Br)cc2)CC1 InChI=1S/C19H19BrN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25) ZBBRDBZBUORDFW-UHFFFAOYSA-N 50360206 CHEMBL1927432 Adenosine receptor A1 Homo sapiens 86.7 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360206&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51039221 136964268 CHEMBL1927432 ZINC82156841 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708670 Nc1nc(NCCOCCOCC[NH3+])nc2nc(nn12)-c1ccco1 InChI=1S/C14H20N8O3/c15-3-6-23-8-9-24-7-4-17-13-19-12(16)22-14(20-13)18-11(21-22)10-2-1-5-25-10/h1-2,5H,3-4,6-9,15H2,(H3,16,17,18,19,20,21)/p+1 LXSLBCICXCMQKH-UHFFFAOYSA-O 50360207 CHEMBL1927433 Adenosine receptor A1 Homo sapiens 769 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360207&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91930464 136964269 CHEMBL1927433 ZINC73199258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708671 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Br)cc1 InChI=1S/C20H19BrN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26) OEUIERDESVHOBI-UHFFFAOYSA-N 50360197 CHEMBL1927434 Adenosine receptor A1 Homo sapiens 1010 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360197&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51050942 136964259 CHEMBL1927434 ZINC73199261 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708672 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccccc1 InChI=1S/C20H20N8O2/c21-18-23-19(24-20-22-17(25-28(18)20)15-7-4-12-30-15)27-10-8-26(9-11-27)16(29)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,21,22,23,24,25) CKNQBBJKRSXMPU-UHFFFAOYSA-N 50360209 CHEMBL1927436 Adenosine receptor A1 Homo sapiens 3510 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360209&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51050944 136964271 CHEMBL1927436 ZINC73199264 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708673 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Cl)cc1 InChI=1S/C20H19ClN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26) OVELLJQEKSXRSC-UHFFFAOYSA-N 50360181 CHEMBL1927442 Adenosine receptor A1 Homo sapiens 991 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360181&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51051040 136964243 CHEMBL1927442 ZINC82154614 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708674 Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H22N8O/c17-8-10-3-5-11(6-4-10)9-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-7-25-12/h1-2,7,10-11H,3-6,8-9,17H2,(H3,18,19,20,21,22,23)/p+1 DSFBIWXVQUICPJ-UHFFFAOYSA-O 50360184 CHEMBL1927444 Adenosine receptor A1 Homo sapiens 1350 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360184&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91930460 136964246 CHEMBL1927444 ZINC73259093 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708675 Nc1nc(NCCCCC[NH3+])nc2nc(nn12)-c1ccco1 InChI=1S/C13H18N8O/c14-6-2-1-3-7-16-12-18-11(15)21-13(19-12)17-10(20-21)9-5-4-8-22-9/h4-5,8H,1-3,6-7,14H2,(H3,15,16,17,18,19,20)/p+1 ZRWJTZFUIPHPSC-UHFFFAOYSA-O 50360186 CHEMBL1927446 Adenosine receptor A1 Homo sapiens 2950 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360186&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91930462 136964248 CHEMBL1927446 ZINC73292789 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708676 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1 InChI=1S/C26H24N8O2/c27-24-29-25(30-26-28-22(31-34(24)26)20-12-7-17-36-20)33-15-13-32(14-16-33)23(35)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H2,27,28,29,30,31) JJJCYECCFBECJK-UHFFFAOYSA-N 50360187 CHEMBL1927447 Adenosine receptor A1 Homo sapiens 7470 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360187&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51051145 136964249 CHEMBL1927447 ZINC73200393 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708677 Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1 InChI=1S/C8H6N6O2/c9-6-11-8(15)12-7-10-5(13-14(6)7)4-2-1-3-16-4/h1-3H,(H3,9,10,11,12,13,15) LELZVPCSZAASEG-UHFFFAOYSA-N 50360191 CHEMBL1927631 Adenosine receptor A1 Homo sapiens 3110 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360191&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 15730053 136964253 CHEMBL1927631 ZINC34731528 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708678 Nc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C8H7N7O/c9-6-12-7(10)15-8(13-6)11-5(14-15)4-2-1-3-16-4/h1-3H,(H4,9,10,11,12,13,14) ABNZWLHJBSTFHF-UHFFFAOYSA-N 50360192 CHEMBL1927632 Adenosine receptor A1 Homo sapiens 1410 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360192&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51051249 136964254 CHEMBL1927632 ZINC73198943 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50708679 Nc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C15H11N7O2/c16-13-19-14-17-11(10-7-4-8-24-10)21-22(14)15(20-13)18-12(23)9-5-2-1-3-6-9/h1-8H,(H3,16,17,18,19,20,21,23) JLGTWNQIHBNLLS-UHFFFAOYSA-N 50360194 CHEMBL1927634 Adenosine receptor A1 Homo sapiens 1800 ChEMBL 10.1021/jm101349u 10.7270/Q2445MXP 21214204 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Universita di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360194&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 51051251 136964256 CHEMBL1927634 ZINC82155760 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711162 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A1 Homo sapiens 1100 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711165 Cn1ncc2nc(NC3CCCCC3)n3nc(nc3c12)-c1ccco1 InChI=1S/C17H19N7O/c1-23-14-12(10-18-23)20-17(19-11-6-3-2-4-7-11)24-16(14)21-15(22-24)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,19,20) PVBJDBLCPLGLCH-UHFFFAOYSA-N 50361312 CHEMBL1935768 Adenosine receptor A1 Homo sapiens 12 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361312&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57391695 136965374 CHEMBL1935768 ZINC73219419 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711166 Cn1ncc2nc(N3CCOCC3)n3nc(nc3c12)-c1ccco1 InChI=1S/C15H15N7O2/c1-20-12-10(9-16-20)17-15(21-4-7-23-8-5-21)22-14(12)18-13(19-22)11-3-2-6-24-11/h2-3,6,9H,4-5,7-8H2,1H3 IBTVWJBTRQGRMW-UHFFFAOYSA-N 50361313 CHEMBL1935769 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361313&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57391696 136965375 CHEMBL1935769 ZINC82157818 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711167 CN1CCN(CC1)c1nc2cnn(C)c2c2nc(nn12)-c1ccco1 InChI=1S/C16H18N8O/c1-21-5-7-23(8-6-21)16-18-11-10-17-22(2)13(11)15-19-14(20-24(15)16)12-4-3-9-25-12/h3-4,9-10H,5-8H2,1-2H3 DGFOJUXGIXXUMW-UHFFFAOYSA-N 50361314 CHEMBL1935770 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361314&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57393435 136965376 CHEMBL1935770 ZINC82157820 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711168 Cn1ncc2nc(N3CCN(CC3)c3ccccc3)n3nc(nc3c12)-c1ccco1 InChI=1S/C21H20N8O/c1-26-18-16(14-22-26)23-21(29-20(18)24-19(25-29)17-8-5-13-30-17)28-11-9-27(10-12-28)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3 TUNDWJHORKLNNE-UHFFFAOYSA-N 50361315 CHEMBL1935771 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361315&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57396937 136965377 CHEMBL1935771 ZINC73223293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711187 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A1 Homo sapiens 549 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711188 Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23) XMXGGIWSFRIOKL-UHFFFAOYSA-N 50051241 2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 63390)::CHEMBL17121::SCH-63390 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051241&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9798914 103948239 CHEMBL17121 ZINC12405956 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711189 Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27) KHRCLUNNZRRZTF-UHFFFAOYSA-N 50117109 1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-pyridin-4-yl-urea::5-[[(4-pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL332091 Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117109&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9887859 104010722 CHEMBL332091 ZINC13475415 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711190 Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1 InChI=1S/C12H10N6O/c1-17-5-7-8(6-17)14-12(13)18-11(7)15-10(16-18)9-3-2-4-19-9/h2-6H,1H3,(H2,13,14) FEOXDFKSJXVOAD-UHFFFAOYSA-N 50361316 CHEMBL1935743 Adenosine receptor A1 Homo sapiens 100 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361316&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57402117 136965378 CHEMBL1935743 ZINC82157932 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711191 CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1 InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16) DMKJPAYMGBCNOU-UHFFFAOYSA-N 50361317 CHEMBL1935744 Adenosine receptor A1 Homo sapiens 35 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361317&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57398641 136965379 CHEMBL1935744 ZINC82157933 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711192 Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C19H16N6O/c20-19-21-15-12-24(9-8-13-5-2-1-3-6-13)11-14(15)18-22-17(23-25(18)19)16-7-4-10-26-16/h1-7,10-12H,8-9H2,(H2,20,21) RWFVLGJFYKITLB-UHFFFAOYSA-N 50361318 CHEMBL1935745 Adenosine receptor A1 Homo sapiens 4.3 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361318&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57396888 136965380 CHEMBL1935745 ZINC73224236 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711193 Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C20H18N6O/c21-20-22-16-13-25(10-4-8-14-6-2-1-3-7-14)12-15(16)19-23-18(24-26(19)20)17-9-5-11-27-17/h1-3,5-7,9,11-13H,4,8,10H2,(H2,21,22) SFBLPDYRMGKGLC-UHFFFAOYSA-N 50361319 CHEMBL1935746 Adenosine receptor A1 Homo sapiens 18 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361319&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57391653 136965381 CHEMBL1935746 ZINC73220868 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711194 COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C20H17N7O3/c1-26-10-14-15(11-26)22-19(24-20(28)21-12-5-7-13(29-2)8-6-12)27-18(14)23-17(25-27)16-4-3-9-30-16/h3-11H,1-2H3,(H2,21,22,24,28) JCTPGWIOTVQRJJ-UHFFFAOYSA-N 50361320 CHEMBL1935747 Adenosine receptor A1 Homo sapiens 800 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361320&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56950235 136965382 CHEMBL1935747 ZINC73220871 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711195 CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1 InChI=1S/C22H21N7O3/c1-3-10-28-12-16-17(13-28)24-21(26-22(30)23-14-6-8-15(31-2)9-7-14)29-20(16)25-19(27-29)18-5-4-11-32-18/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,26,30) ICGBCZUFVWBFGJ-UHFFFAOYSA-N 50361321 CHEMBL1935748 Adenosine receptor A1 Homo sapiens 743 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361321&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57395120 136965383 CHEMBL1935748 ZINC73220874 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711196 COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H23N7O3/c1-36-20-11-9-19(10-12-20)28-27(35)31-26-29-22-17-33(14-13-18-6-3-2-4-7-18)16-21(22)25-30-24(32-34(25)26)23-8-5-15-37-23/h2-12,15-17H,13-14H2,1H3,(H2,28,29,31,35) OGKVNXXLANFINB-UHFFFAOYSA-N 50361322 CHEMBL1935749 Adenosine receptor A1 Homo sapiens 178 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361322&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57402118 136965384 CHEMBL1935749 ZINC73220878 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711197 COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C28H25N7O3/c1-37-21-13-11-20(12-14-21)29-28(36)32-27-30-23-18-34(15-5-9-19-7-3-2-4-8-19)17-22(23)26-31-25(33-35(26)27)24-10-6-16-38-24/h2-4,6-8,10-14,16-18H,5,9,15H2,1H3,(H2,29,30,32,36) ZMRKZXCDAWJGSF-UHFFFAOYSA-N 50361323 CHEMBL1935750 Adenosine receptor A1 Homo sapiens 210 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361323&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57402160 136965385 CHEMBL1935750 ZINC73220139 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711198 Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(nc3c2c1)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-9-12-13(10-25)21-17(23-18(27)20-11-4-6-19-7-5-11)26-16(12)22-15(24-26)14-3-2-8-28-14/h2-10H,1H3,(H2,19,20,21,23,27) BVFLIOSLDNOXBH-UHFFFAOYSA-N 50361324 CHEMBL1935751 Adenosine receptor A1 Homo sapiens 355 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361324&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57395161 136965386 CHEMBL1935751 ZINC73240661 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711199 Cn1ncc2nc(N)n3nc(nc3c12)-c1ccco1 InChI=1S/C11H9N7O/c1-17-8-6(5-13-17)14-11(12)18-10(8)15-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14) JGOMPASXQKCRSZ-UHFFFAOYSA-N 50361325 CHEMBL1935752 Adenosine receptor A1 Homo sapiens 10 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361325&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57396935 136965387 CHEMBL1935752 ZINC73220951 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711200 CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1 InChI=1S/C13H13N7O/c1-2-5-19-10-8(7-15-19)16-13(14)20-12(10)17-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16) JMHRTCFPAQIVHC-UHFFFAOYSA-N 50361326 CHEMBL1935753 Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361326&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57400352 136965388 CHEMBL1935753 ZINC73220952 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711201 Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-21-13-11-20-24(9-8-12-5-2-1-3-6-12)15(13)17-22-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21) SLRFMWZADWPTCV-UHFFFAOYSA-N 50361327 CHEMBL1935754 Adenosine receptor A1 Homo sapiens 33 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361327&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57391694 136965389 CHEMBL1935754 ZINC73220955 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711202 Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22) XVPZIZMCZVRQNF-UHFFFAOYSA-N 50361328 CHEMBL1935755 Adenosine receptor A1 Homo sapiens 85 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361328&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57395162 136965390 CHEMBL1935755 ZINC73221681 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711203 COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O3/c1-26-15-13(10-20-26)22-18(24-19(28)21-11-5-7-12(29-2)8-6-11)27-17(15)23-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,21,22,24,28) IORKPLVQKDZOMP-UHFFFAOYSA-N 50361329 CHEMBL1935756 Adenosine receptor A1 Homo sapiens 129 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361329&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57395163 136965391 CHEMBL1935756 ZINC73221683 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711204 CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-17-15(12-22-28)24-20(26-21(30)23-13-6-8-14(31-2)9-7-13)29-19(17)25-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,24,26,30) ZAVIFQMSACOIGK-UHFFFAOYSA-N 50361330 CHEMBL1935757 Adenosine receptor A1 Homo sapiens 61 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361330&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57403904 136965392 CHEMBL1935757 ZINC82158032 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711205 COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)28-26(35)31-25-29-20-16-27-33(14-13-17-6-3-2-4-7-17)22(20)24-30-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,28,29,31,35) PCKMSZPDNZRROL-UHFFFAOYSA-N 50361302 CHEMBL1935758 Adenosine receptor A1 Homo sapiens 524 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361302&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57393433 136965364 CHEMBL1935758 ZINC82158348 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711206 COc1ccc(NC(=O)Nc2nc3cnn(CCCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)29-27(36)32-26-30-21-17-28-34(15-5-9-18-7-3-2-4-8-18)23(21)25-31-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,29,30,32,36) WITHCVZZZSWRQW-UHFFFAOYSA-N 50361303 CHEMBL1935759 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361303&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57393434 136965365 CHEMBL1935759 ZINC73219352 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711207 Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1 InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)10-14-9(7-3-2-4-19-7)16-18(10)11(12)13-6/h2-5H,1H3,(H2,12,13) YNPWLGCKDUFABF-UHFFFAOYSA-N 50361304 CHEMBL1935760 Adenosine receptor A1 Homo sapiens 30 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361304&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57402161 136965366 CHEMBL1935760 ZINC73219357 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711208 CCCn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1 InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15) ZAZPRMLVZGANMF-UHFFFAOYSA-N 50361305 CHEMBL1935761 Adenosine receptor A1 Homo sapiens 22 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361305&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57396936 136965367 CHEMBL1935761 ZINC73219361 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711209 Nc1nc2cn(CCc3ccccc3)nc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20) DVVJRAYQCKIHRD-UHFFFAOYSA-N 50361306 CHEMBL1935762 Adenosine receptor A1 Homo sapiens 4.9 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361306&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57403905 136965368 CHEMBL1935762 ZINC73219363 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711210 Nc1nc2cn(CCCc3ccccc3)nc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-21-14-12-25(10-4-8-13-6-2-1-3-7-13)23-16(14)18-22-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,21) MTHYDGIDFZWZRZ-UHFFFAOYSA-N 50361307 CHEMBL1935763 Adenosine receptor A1 Homo sapiens 7.1 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361307&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57398676 136965369 CHEMBL1935763 ZINC82158085 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711211 COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)17-22-16(14-4-3-9-30-14)25-27(17)18(21-13)23-19(28)20-11-5-7-12(29-2)8-6-11/h3-10H,1-2H3,(H2,20,21,23,28) CZFJGXTZYVGVHN-UHFFFAOYSA-N 50361308 CHEMBL1935764 Adenosine receptor A1 Homo sapiens 923 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361308&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57395164 136965370 CHEMBL1935764 ZINC82158086 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711212 CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2n1)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)19-24-18(16-5-4-11-32-16)27-29(19)20(23-15)25-21(30)22-13-6-8-14(31-2)9-7-13/h4-9,11-12H,3,10H2,1-2H3,(H2,22,23,25,30) QSRHFDVVIAWOBB-UHFFFAOYSA-N 50361309 CHEMBL1935765 Adenosine receptor A1 Homo sapiens 240 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361309&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57400353 136965371 CHEMBL1935765 ZINC82158087 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711213 COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-28-20-16-33(14-13-17-6-3-2-4-7-17)31-22(20)24-29-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,28,30,35) RAZBLCNSYCEXMB-UHFFFAOYSA-N 50361310 CHEMBL1935766 Adenosine receptor A1 Homo sapiens 753 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361310&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57402162 136965372 CHEMBL1935766 ZINC82158375 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50711214 COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-29-21-17-34(15-5-9-18-7-3-2-4-8-18)32-23(21)25-30-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,29,31,36) XWFPABOZDIPVNP-UHFFFAOYSA-N 50361311 CHEMBL1935767 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2011.11.037 10.7270/Q26M3789 22204739 Baraldi, PG; Saponaro, G; Aghazadeh Tabrizi, M; Baraldi, S; Romagnoli, R; Moorman, AR; Varani, K; Borea, PA; Preti, D Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361311&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 57402163 136965373 CHEMBL1935767 ZINC73219418 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50726908 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12 InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1 SNTVGVURAAEEMQ-QYVSTXNMSA-N 50281138 (2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL313306 Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1016/S0960-894X(97)10177-9 10.7270/Q2SQ90W2 Ha, SB; Melman, N; Jacobson, KA; Nair, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50281138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50281138&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44323390 104122842 CHEMBL313306 ZINC26579968 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50733093 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)C#Cc1ccccc1 InChI=1S/C18H17N5O4/c19-16-13-17(21-9-20-16)23(18-15(26)14(25)11(8-24)27-18)12(22-13)7-6-10-4-2-1-3-5-10/h1-5,9,11,14-15,18,24-26H,8H2,(H2,19,20,21)/t11-,14-,15-,18?/m1/s1 ZYEXHNHGCDESIU-HETNKJQDSA-N 50366687 CHEMBL3350497::CHEMBL611516 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(01)00347-x 10.7270/Q2NZ8866 11459663 Volpini, R; Costanzi, S; Lambertucci, C; Vittori, S; Klotz, K; Lorenzen, A; Cristalli, G Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366687&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9999033 160845789 CHEMBL3350497CHEMBL611516 ZINC49018346 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50733094 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1016/s0960-894x(01)00347-x 10.7270/Q2NZ8866 11459663 Volpini, R; Costanzi, S; Lambertucci, C; Vittori, S; Klotz, K; Lorenzen, A; Cristalli, G Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50733096 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(\C=C\C(=O)c3ccccc3)nc12 InChI=1S/C19H19N5O5/c20-17-14-18(22-9-21-17)24(19-16(28)15(27)12(8-25)29-19)13(23-14)7-6-11(26)10-4-2-1-3-5-10/h1-7,9,12,15-16,19,25,27-28H,8H2,(H2,20,21,22)/b7-6+/t12-,15-,16-,19?/m1/s1 VRKBZQOPVJHRLW-VOBVKWFOSA-N 50366686 CHEMBL3350496::CHEMBL610346 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(01)00347-x 10.7270/Q2NZ8866 11459663 Volpini, R; Costanzi, S; Lambertucci, C; Vittori, S; Klotz, K; Lorenzen, A; Cristalli, G Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366686&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10250190 160845788 CHEMBL3350496CHEMBL610346 ZINC49785217 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50733100 CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-20-11-14(17)18-8-19-15(11)21(10)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,18,19)/t9-,12-,13-,16?/m1/s1 IJAPUBHYHCDJEW-VTRSQVMYSA-N 50366688 BDBM50397720::CHEMBL2181966::CHEMBL610640 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(01)00347-x 10.7270/Q2NZ8866 11459663 Volpini, R; Costanzi, S; Lambertucci, C; Vittori, S; Klotz, K; Lorenzen, A; Cristalli, G Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366688&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10247091 160845790 CHEMBL610640CHEMBL2181966 ZINC49016744 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50733101 CCn1c(nc2c(N)ncnc12)C#Cc1ccccc1 InChI=1S/C15H13N5/c1-2-20-12(9-8-11-6-4-3-5-7-11)19-13-14(16)17-10-18-15(13)20/h3-7,10H,2H2,1H3,(H2,16,17,18) AXENMZHFYBPHQF-UHFFFAOYSA-N 50102169 9-Ethyl-8-phenylethynyl-9H-purin-6-ylamine::CHEMBL61259 Adenosine receptor A1 Homo sapiens 1280 ChEMBL 10.1016/s0960-894x(01)00347-x 10.7270/Q2NZ8866 11459663 Volpini, R; Costanzi, S; Lambertucci, C; Vittori, S; Klotz, K; Lorenzen, A; Cristalli, G Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102169&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44300688 103998709 CHEMBL61259 ZINC29563206 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717454 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A1 Homo sapiens 380 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717455 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)OC)cc3)nc12 InChI=1S/C33H40N8O7/c1-3-35-30(45)27-25(43)26(44)31(48-27)41-18-37-24-28(34)39-33(40-29(24)41)36-16-15-20-11-9-19(10-12-20)13-14-23(42)38-22(32(46)47-2)17-21-7-5-4-6-8-21/h4-12,18,22,25-27,31,43-44H,3,13-17H2,1-2H3,(H,35,45)(H,38,42)(H3,34,36,39,40)/t22-,25-,26+,27-,31+/m0/s1 BWHLYEQTTHPURZ-QLYQVZKDSA-N 50364047 CHEMBL1950653 Adenosine receptor A1 Homo sapiens 1080 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364047&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945648 136968109 CHEMBL1950653 ZINC82149837 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717456 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4ccccc4)C(=O)OC)cc3)nc12 InChI=1S/C33H40N8O7/c1-3-35-30(45)27-25(43)26(44)31(48-27)41-18-37-24-28(34)39-33(40-29(24)41)36-16-15-20-11-9-19(10-12-20)13-14-23(42)38-22(32(46)47-2)17-21-7-5-4-6-8-21/h4-12,18,22,25-27,31,43-44H,3,13-17H2,1-2H3,(H,35,45)(H,38,42)(H3,34,36,39,40)/t22-,25+,26-,27+,31-/m1/s1 BWHLYEQTTHPURZ-ZOPCGFQQSA-N 50364048 CHEMBL1950654 Adenosine receptor A1 Homo sapiens 1230 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364048&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945649 136968110 CHEMBL1950654 ZINC82140109 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717457 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)cc3)nc12 InChI=1S/C35H41N9O7/c1-3-37-32(48)29-27(46)28(47)33(51-29)44-18-40-26-30(36)42-35(43-31(26)44)38-15-14-20-10-8-19(9-11-20)12-13-25(45)41-24(34(49)50-2)16-21-17-39-23-7-5-4-6-22(21)23/h4-11,17-18,24,27-29,33,39,46-47H,3,12-16H2,1-2H3,(H,37,48)(H,41,45)(H3,36,38,42,43)/t24-,27-,28+,29-,33+/m0/s1 WPQKCNOVLXDKLF-SNPPRPGFSA-N 50364049 CHEMBL1950655 Adenosine receptor A1 Homo sapiens 1670 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364049&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945650 136968111 CHEMBL1950655 ZINC82151068 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717458 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)OC)cc3)nc12 InChI=1S/C35H41N9O7/c1-3-37-32(48)29-27(46)28(47)33(51-29)44-18-40-26-30(36)42-35(43-31(26)44)38-15-14-20-10-8-19(9-11-20)12-13-25(45)41-24(34(49)50-2)16-21-17-39-23-7-5-4-6-22(21)23/h4-11,17-18,24,27-29,33,39,46-47H,3,12-16H2,1-2H3,(H,37,48)(H,41,45)(H3,36,38,42,43)/t24-,27+,28-,29+,33-/m1/s1 WPQKCNOVLXDKLF-CKDOXDSWSA-N 50364050 CHEMBL1950656 Adenosine receptor A1 Homo sapiens 1610 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364050&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945768 136968112 CHEMBL1950656 ZINC82151073 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717459 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](CC(O)=O)C(O)=O)cc3)nc12 InChI=1S/C27H34N8O9/c1-2-29-24(41)21-19(39)20(40)25(44-21)35-12-31-18-22(28)33-27(34-23(18)35)30-10-9-14-5-3-13(4-6-14)7-8-16(36)32-15(26(42)43)11-17(37)38/h3-6,12,15,19-21,25,39-40H,2,7-11H2,1H3,(H,29,41)(H,32,36)(H,37,38)(H,42,43)(H3,28,30,33,34)/t15-,19-,20+,21-,25+/m0/s1 NVFHZJAWBNENJM-QCCCUNRSSA-N 50364051 CHEMBL1950657 Adenosine receptor A1 Homo sapiens 1900 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364051&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945769 136968113 CHEMBL1950657 C02715 ZINC82152160 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717460 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](CC(O)=O)C(O)=O)cc3)nc12 InChI=1S/C27H34N8O9/c1-2-29-24(41)21-19(39)20(40)25(44-21)35-12-31-18-22(28)33-27(34-23(18)35)30-10-9-14-5-3-13(4-6-14)7-8-16(36)32-15(26(42)43)11-17(37)38/h3-6,12,15,19-21,25,39-40H,2,7-11H2,1H3,(H,29,41)(H,32,36)(H,37,38)(H,42,43)(H3,28,30,33,34)/t15-,19+,20-,21+,25-/m1/s1 NVFHZJAWBNENJM-QNLLXNTNSA-N 50364052 CHEMBL1950658 Adenosine receptor A1 Homo sapiens 1180 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364052&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945770 136968114 CHEMBL1950658 C06380 ZINC73197157 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717461 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc3)nc12 InChI=1S/C29H41N11O7/c1-2-33-25(44)22-20(42)21(43)26(47-22)40-14-36-19-23(30)38-29(39-24(19)40)35-13-11-16-7-5-15(6-8-16)9-10-18(41)37-17(27(45)46)4-3-12-34-28(31)32/h5-8,14,17,20-22,26,42-43H,2-4,9-13H2,1H3,(H,33,44)(H,37,41)(H,45,46)(H4,31,32,34)(H3,30,35,38,39)/t17-,20-,21+,22-,26+/m0/s1 FFIPZTPOXCHWRL-YXIKGXEGSA-N 50364053 CHEMBL1950659 Adenosine receptor A1 Homo sapiens 1110 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364053&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945771 136968115 CHEMBL1950659 ZINC82141324 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717462 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](CCCN=C(N)N)C(O)=O)cc3)nc12 InChI=1S/C29H41N11O7/c1-2-33-25(44)22-20(42)21(43)26(47-22)40-14-36-19-23(30)38-29(39-24(19)40)35-13-11-16-7-5-15(6-8-16)9-10-18(41)37-17(27(45)46)4-3-12-34-28(31)32/h5-8,14,17,20-22,26,42-43H,2-4,9-13H2,1H3,(H,33,44)(H,37,41)(H,45,46)(H4,31,32,34)(H3,30,35,38,39)/t17-,20+,21-,22+,26-/m1/s1 FFIPZTPOXCHWRL-IIHBFDQCSA-N 50364054 CHEMBL1950660 Adenosine receptor A1 Homo sapiens 990 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364054&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945888 136968116 CHEMBL1950660 ZINC82140722 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717463 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4ccccc4)C(O)=O)cc3)nc12 InChI=1S/C32H38N8O7/c1-2-34-29(44)26-24(42)25(43)30(47-26)40-17-36-23-27(33)38-32(39-28(23)40)35-15-14-19-10-8-18(9-11-19)12-13-22(41)37-21(31(45)46)16-20-6-4-3-5-7-20/h3-11,17,21,24-26,30,42-43H,2,12-16H2,1H3,(H,34,44)(H,37,41)(H,45,46)(H3,33,35,38,39)/t21-,24-,25+,26-,30+/m0/s1 SAEBJQAMGQRLES-FFPHBOEOSA-N 50364055 CHEMBL1950661 Adenosine receptor A1 Homo sapiens 640 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364055&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945889 136968117 CHEMBL1950661 ZINC82140726 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717464 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4ccccc4)C(O)=O)cc3)nc12 InChI=1S/C32H38N8O7/c1-2-34-29(44)26-24(42)25(43)30(47-26)40-17-36-23-27(33)38-32(39-28(23)40)35-15-14-19-10-8-18(9-11-19)12-13-22(41)37-21(31(45)46)16-20-6-4-3-5-7-20/h3-11,17,21,24-26,30,42-43H,2,12-16H2,1H3,(H,34,44)(H,37,41)(H,45,46)(H3,33,35,38,39)/t21-,24+,25-,26+,30-/m1/s1 SAEBJQAMGQRLES-IFKFFLRYSA-N 50364056 CHEMBL1950662 Adenosine receptor A1 Homo sapiens 550 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364056&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945890 136968118 CHEMBL1950662 ZINC82155085 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717465 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(O)=O)cc3)nc12 InChI=1S/C34H39N9O7/c1-2-36-31(47)28-26(45)27(46)32(50-28)43-17-39-25-29(35)41-34(42-30(25)43)37-14-13-19-9-7-18(8-10-19)11-12-24(44)40-23(33(48)49)15-20-16-38-22-6-4-3-5-21(20)22/h3-10,16-17,23,26-28,32,38,45-46H,2,11-15H2,1H3,(H,36,47)(H,40,44)(H,48,49)(H3,35,37,41,42)/t23-,26-,27+,28-,32+/m0/s1 SLFPVNKYLXEKBK-NYPBNXJUSA-N 50364057 CHEMBL1950663 Adenosine receptor A1 Homo sapiens 1060 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364057&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945891 136968119 CHEMBL1950663 ZINC82155928 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717466 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(O)=O)cc3)nc12 InChI=1S/C34H39N9O7/c1-2-36-31(47)28-26(45)27(46)32(50-28)43-17-39-25-29(35)41-34(42-30(25)43)37-14-13-19-9-7-18(8-10-19)11-12-24(44)40-23(33(48)49)15-20-16-38-22-6-4-3-5-21(20)22/h3-10,16-17,23,26-28,32,38,45-46H,2,11-15H2,1H3,(H,36,47)(H,40,44)(H,48,49)(H3,35,37,41,42)/t23-,26+,27-,28+,32-/m1/s1 SLFPVNKYLXEKBK-OVSGKPRASA-N 50364058 CHEMBL1950664 Adenosine receptor A1 Homo sapiens 2160 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364058&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945994 136968120 CHEMBL1950664 ZINC82140273 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717467 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4cnc[nH]4)C(O)=O)cc3)nc12 InChI=1S/C29H36N10O7/c1-2-32-26(43)23-21(41)22(42)27(46-23)39-14-35-20-24(30)37-29(38-25(20)39)33-10-9-16-5-3-15(4-6-16)7-8-19(40)36-18(28(44)45)11-17-12-31-13-34-17/h3-6,12-14,18,21-23,27,41-42H,2,7-11H2,1H3,(H,31,34)(H,32,43)(H,36,40)(H,44,45)(H3,30,33,37,38)/t18-,21-,22+,23-,27+/m0/s1 XDBPGTOUWLQGCG-RKMGSRDVSA-N 50364059 CHEMBL1950665 Adenosine receptor A1 Homo sapiens 1000 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364059&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945995 136968121 CHEMBL1950665 ZINC82140280 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50717468 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4cnc[nH]4)C(O)=O)cc3)nc12 InChI=1S/C29H36N10O7/c1-2-32-26(43)23-21(41)22(42)27(46-23)39-14-35-20-24(30)37-29(38-25(20)39)33-10-9-16-5-3-15(4-6-16)7-8-19(40)36-18(28(44)45)11-17-12-31-13-34-17/h3-6,12-14,18,21-23,27,41-42H,2,7-11H2,1H3,(H,31,34)(H,32,43)(H,36,40)(H,44,45)(H3,30,33,37,38)/t18-,21+,22-,23+,27-/m1/s1 XDBPGTOUWLQGCG-ZAEDXQPCSA-N 50364046 CHEMBL1950666 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm201461q 10.7270/Q22Z160R 22104008 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364046&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945996 136968108 CHEMBL1950666 ZINC82140511 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50730198 OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CCC4O5)ncnc23)[C@H](O)[C@@H]1O InChI=1S/C17H23N5O5/c23-5-12-15(25)14(24)11(27-12)4-22-7-20-13-16(18-6-19-17(13)22)21-9-3-8-1-2-10(9)26-8/h6-12,14-15,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11?,12-,14+,15-/m1/s1 AXMPLTPJMXKDIV-AVKKBVNTSA-N 50366624 CHEMBL3144085::CHEMBL608777 Adenosine receptor A1 Homo sapiens 7.1 ChEMBL 10.1016/s0960-894x(99)00109-2 10.7270/Q22N52ST 10230614 Hutchinson, SA; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366624&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90663727 160845726 CHEMBL3144085CHEMBL608777 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50730199 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4OC3C=C4)ncnc12 InChI=1S/C16H19N5O5/c22-4-10-12(23)13(24)16(26-10)21-6-19-11-14(17-5-18-15(11)21)20-8-3-7-1-2-9(8)25-7/h1-2,5-10,12-13,16,22-24H,3-4H2,(H,17,18,20)/t7?,8?,9?,10-,12-,13-,16?/m1/s1 WHCLEEHMRJVVRQ-XPELVCMNSA-N 50366625 CHEMBL608220 Adenosine receptor A1 Homo sapiens 22 ChEMBL 10.1016/s0960-894x(99)00109-2 10.7270/Q22N52ST 10230614 Hutchinson, SA; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366625&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46876987 160845727 CHEMBL608220 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50730201 OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CC4C(=O)C5)ncnc23)[C@H](O)[C@@H]1O InChI=1S/C18H23N5O5/c24-5-13-16(27)15(26)12(28-13)4-23-7-21-14-17(19-6-20-18(14)23)22-10-2-8-1-9(10)11(25)3-8/h6-10,12-13,15-16,24,26-27H,1-5H2,(H,19,20,22)/t8?,9?,10?,12?,13-,15+,16-/m1/s1 FHYVXHZVGNDRHK-LADFMAERSA-N 50366627 CHEMBL3144087::CHEMBL608223 Adenosine receptor A1 Homo sapiens 2.7 ChEMBL 10.1016/s0960-894x(99)00109-2 10.7270/Q22N52ST 10230614 Hutchinson, SA; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366627&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90663729 160845729 CHEMBL3144087CHEMBL608223 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50730203 OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CC4CC5O)ncnc23)[C@H](O)[C@@H]1O InChI=1S/C18H25N5O5/c24-5-13-16(27)15(26)12(28-13)4-23-7-21-14-17(19-6-20-18(14)23)22-10-2-9-1-8(10)3-11(9)25/h6-13,15-16,24-27H,1-5H2,(H,19,20,22)/t8?,9?,10?,11?,12?,13-,15+,16-/m1/s1 LFAJUSRSNIDJDN-FBTSMPDYSA-N 50366629 CHEMBL3144086::CHEMBL609070 Adenosine receptor A1 Homo sapiens 8 ChEMBL 10.1016/s0960-894x(99)00109-2 10.7270/Q22N52ST 10230614 Hutchinson, SA; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366629&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 90663728 160845731 CHEMBL3144086CHEMBL609070 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50730204 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CC(O)C3C4)ncnc12 InChI=1S/C17H23N5O5/c23-4-11-13(25)14(26)17(27-11)22-6-20-12-15(18-5-19-16(12)22)21-9-2-7-1-8(9)10(24)3-7/h5-11,13-14,17,23-26H,1-4H2,(H,18,19,21)/t7?,8?,9?,10?,11-,13-,14-,17?/m1/s1 OYIHAKZUASUWGW-DXECBOILSA-N 50366630 CHEMBL608219 Adenosine receptor A1 Homo sapiens 9.20 ChEMBL 10.1016/s0960-894x(99)00109-2 10.7270/Q22N52ST 10230614 Hutchinson, SA; Baker, SP; Scammells, PJ Deakin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366630&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46876986 160845732 CHEMBL608219 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50728784 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 59 ChEMBL 10.1016/s0960-894x(98)00102-4 10.7270/Q21Z44Z9 9871584 Camp, D; Green, JM; Kaiser, SM; Moni, RW; Townsend-Nicholson, A; Schofield, PR; Quinn, RJ Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50715283 CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 InChI=1S/C15H19N5O3/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/t9-,12-,15-/m1/s1 KVSBFXTVPHRJRK-DDHOLCJHSA-N 50363168 CHEMBL1945563 Adenosine receptor A1 Homo sapiens 740 ChEMBL 10.1021/jm201229j 10.7270/Q2VQ334S 22142423 Hou, X; Majik, MS; Kim, K; Pyee, Y; Lee, Y; Alexander, V; Chung, HJ; Lee, HW; Chandra, G; Lee, JH; Park, SG; Choi, WJ; Kim, HO; Phan, K; Gao, ZG; Jacobson, KA; Choi, S; Lee, SK; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363168&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945639 136967230 CHEMBL1945563 ZINC73200079 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50715284 CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O InChI=1S/C15H19N5O3/c1-2-3-4-5-6-10-19-11-13(16)17-8-18-14(11)20(10)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,17,18)/t9-,12-,15-/m1/s1 QXGLHSDSRALMED-DDHOLCJHSA-N 50363169 CHEMBL1946299 Adenosine receptor A1 Homo sapiens 290 ChEMBL 10.1021/jm201229j 10.7270/Q2VQ334S 22142423 Hou, X; Majik, MS; Kim, K; Pyee, Y; Lee, Y; Alexander, V; Chung, HJ; Lee, HW; Chandra, G; Lee, JH; Park, SG; Choi, WJ; Kim, HO; Phan, K; Gao, ZG; Jacobson, KA; Choi, S; Lee, SK; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363169&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945868 136967231 CHEMBL1946299 ZINC82150032 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50715285 CCCC\C=C\c1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O InChI=1S/C15H21N5O3/c1-2-3-4-5-6-10-19-11-13(16)17-8-18-14(11)20(10)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,17,18)/b6-5+/t9-,12-,15-/m1/s1 DKFAGAHTHDTQJS-GXDOZBQNSA-N 50363170 CHEMBL1946301 Adenosine receptor A1 Homo sapiens 500 ChEMBL 10.1021/jm201229j 10.7270/Q2VQ334S 22142423 Hou, X; Majik, MS; Kim, K; Pyee, Y; Lee, Y; Alexander, V; Chung, HJ; Lee, HW; Chandra, G; Lee, JH; Park, SG; Choi, WJ; Kim, HO; Phan, K; Gao, ZG; Jacobson, KA; Choi, S; Lee, SK; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363170&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56945870 136967232 CHEMBL1946301 ZINC82156464 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50728787 CC(C)(OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1 InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14+,15-,18-/m0/s1 BQXWWDVKJFOOSA-OGIUKLMXSA-N 50069320 (2S,3S,4S,5S)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1-phenyl-ethoxymethyl)-tetrahydro-furan-3,4-diol::CHEMBL162752 Adenosine receptor A1 Homo sapiens 869 ChEMBL 10.1016/s0960-894x(98)00102-4 10.7270/Q21Z44Z9 9871584 Camp, D; Green, JM; Kaiser, SM; Moni, RW; Townsend-Nicholson, A; Schofield, PR; Quinn, RJ Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50069320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50069320&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44374566 103963421 CHEMBL162752 ZINC27749796 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50728789 CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1 InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 BQXWWDVKJFOOSA-SCFUHWHPSA-N 50069319 (2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1-phenyl-ethoxymethyl)-tetrahydro-furan-3,4-diol::2-(6-Amino-purin-9-yl)-5-(1-methyl-1-phenyl-ethoxymethyl)-tetrahydro-furan-3,4-diol::CHEMBL146549 Adenosine receptor A1 Homo sapiens 28 ChEMBL 10.1016/s0960-894x(98)00102-4 10.7270/Q21Z44Z9 9871584 Camp, D; Green, JM; Kaiser, SM; Moni, RW; Townsend-Nicholson, A; Schofield, PR; Quinn, RJ Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50069319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50069319&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 20696356 103963420 CHEMBL146549 ZINC27548919 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50728790 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A1 Homo sapiens 6437 ChEMBL 10.1016/s0960-894x(98)00102-4 10.7270/Q21Z44Z9 9871584 Camp, D; Green, JM; Kaiser, SM; Moni, RW; Townsend-Nicholson, A; Schofield, PR; Quinn, RJ Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50728794 OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c3N[C@@H](Cn3c(=N)nc12)c1ccccc1 InChI=1S/C18H20N6O4/c19-18-22-16-12(15-21-10(6-23(15)18)9-4-2-1-3-5-9)20-8-24(16)17-14(27)13(26)11(7-25)28-17/h1-5,8,10-11,13-14,17,19,21,25-27H,6-7H2/t10-,11-,13-,14-,17?/m0/s1 SLLHCRADEZWNNN-DOTVBFPISA-N 50366575 CHEMBL609645 Adenosine receptor A1 Homo sapiens 100000 ChEMBL 10.1016/s0960-894x(98)00102-4 10.7270/Q21Z44Z9 9871584 Camp, D; Green, JM; Kaiser, SM; Moni, RW; Townsend-Nicholson, A; Schofield, PR; Quinn, RJ Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366575&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46876863 160845677 CHEMBL609645 ZINC49089280 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50726073 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 SQMWSBKSHWARHU-SDBHATRESA-N 25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378 Adenosine receptor A1 Homo sapiens 0.190000 ChEMBL 10.1016/0960-894X(96)00111-4 10.7270/Q2ZK5H5H Scammells, P; Baker, S; Bellardinelli, L; Olsson, R; Russell, R; Knevitt, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25400&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3GU 3GU8 657378 56374539 CHEMBL68738 ZINC03995996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50732420 OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C17H23N5O2/c23-7-17-6-11(17)12(5-13(17)24)22-9-20-14-15(18-8-19-16(14)22)21-10-3-1-2-4-10/h8-13,23-24H,1-7H2,(H,18,19,21)/t11-,12+,13+,17+/m1/s1 AKUOJWDGUSDCKF-XREXNNHRSA-N 50100422 (1R,2S,4S,5S)-4-(6-Cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexan-2-ol::CHEMBL27502 Adenosine receptor A1 Homo sapiens 2890 ChEMBL 10.1016/s0960-894x(01)00213-x 10.7270/Q2445N1F 11392549 Lee, K; Ravi, G; Ji, XD; Marquez, VE; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100422&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44276002 103997197 CHEMBL27502 ZINC28761567 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720327 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27) KOYXXLLNCXWUNF-UHFFFAOYSA-N 50236738 3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-3-ethyl-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL260933::CVT-6883 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50236738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50236738&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11270783 104056367 CHEMBL260933 5615 ZINC29055563 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720328 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A1 Homo sapiens 403 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720329 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1 InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30) AHJHSANRNGKAFS-UHFFFAOYSA-N 50159975 8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL180693 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159975&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10196114 104046368 CHEMBL180693 ZINC06717057 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720330 CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1 InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35) MIUCZFWBCFZKEU-UHFFFAOYSA-N 50268107 CHEMBL485862::CHEMBL500634::N-(2-(2-phenyl-6-(4-(3-phenylpropyl)piperazine-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl)acetamide::OSIP-339391 Adenosine receptor A1 Homo sapiens 37 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50268107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50268107&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5311041 104114686 CHEMBL500634CHEMBL485862 454 ZINC53175300 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720331 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27) DBWQRFKXNBVPGA-UHFFFAOYSA-N 50229885 CHEMBL260331::CHEMBL506685::N-(benzo[d][1,3]dioxol-5-yl)-2-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy)acetamide::N-Benzo[1,3]dioxol-5-yl-2-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetamide Adenosine receptor A1 Homo sapiens 200 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229885&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44451245 104098216 CHEMBL506685CHEMBL260331 390 ZINC13559747 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720347 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C InChI=1S/C23H26N8O3/c1-4-10-30-21-19(22(32)31(11-5-2)23(30)33)26-20(27-21)16-12-18(28-29(16)3)34-13-17-24-14-8-6-7-9-15(14)25-17/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,24,25)(H,26,27) VMGLDEBIBHDXQD-UHFFFAOYSA-N 50365327 CHEMBL1955897 Adenosine receptor A1 Homo sapiens 222 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365327&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56950989 136969389 CHEMBL1955897 ZINC73312289 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720348 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(F)cc3[nH]2)nn1C InChI=1S/C23H25FN8O3/c1-4-8-31-21-19(22(33)32(9-5-2)23(31)34)27-20(28-21)16-11-18(29-30(16)3)35-12-17-25-14-7-6-13(24)10-15(14)26-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,25,26)(H,27,28) ROBJWIQRQGBAFC-UHFFFAOYSA-N 50365321 CHEMBL1955898 Adenosine receptor A1 Homo sapiens 645 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365321&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56950990 136969383 CHEMBL1955898 ZINC73312293 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720349 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Cl)cc3[nH]2)nn1C InChI=1S/C23H25ClN8O3/c1-4-8-31-21-19(22(33)32(9-5-2)23(31)34)27-20(28-21)16-11-18(29-30(16)3)35-12-17-25-14-7-6-13(24)10-15(14)26-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,25,26)(H,27,28) CFBQPTSLYXMALX-UHFFFAOYSA-N 50365322 CHEMBL1955899 Adenosine receptor A1 Homo sapiens 150 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365322&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56950991 136969384 CHEMBL1955899 ZINC73312830 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720350 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(OC)cc3[nH]2)nn1C InChI=1S/C24H28N8O4/c1-5-9-31-22-20(23(33)32(10-6-2)24(31)34)27-21(28-22)17-12-19(29-30(17)3)36-13-18-25-15-8-7-14(35-4)11-16(15)26-18/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,25,26)(H,27,28) BYJMNXISKBEGMP-UHFFFAOYSA-N 50365323 CHEMBL1955900 Adenosine receptor A1 Homo sapiens 752 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365323&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951114 136969385 CHEMBL1955900 ZINC73312832 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720351 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc4ccccc4cc3[nH]2)nn1C InChI=1S/C27H28N8O3/c1-4-10-34-25-23(26(36)35(11-5-2)27(34)37)30-24(31-25)20-14-22(32-33(20)3)38-15-21-28-18-12-16-8-6-7-9-17(16)13-19(18)29-21/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,28,29)(H,30,31) ONUNEGDGDVVGMV-UHFFFAOYSA-N 50365296 CHEMBL1955893 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365296&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951381 136969358 CHEMBL1955893 ZINC73313650 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720352 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)[N+]([O-])=O)nn1C InChI=1S/C23H25N9O5/c1-4-8-30-21-19(22(33)31(9-5-2)23(30)34)26-20(27-21)16-11-18(28-29(16)3)37-12-17-24-14-7-6-13(32(35)36)10-15(14)25-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,24,25)(H,26,27) UGXUMUCIAPNGRV-UHFFFAOYSA-N 50365297 CHEMBL1955894 Adenosine receptor A1 Homo sapiens 155 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365297&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951240 136969359 CHEMBL1955894 ZINC73333182 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720353 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(=O)OCC)nn1C InChI=1S/C26H30N8O5/c1-5-10-33-23-21(24(35)34(11-6-2)26(33)37)29-22(30-23)18-13-20(31-32(18)4)39-14-19-27-16-9-8-15(12-17(16)28-19)25(36)38-7-3/h8-9,12-13H,5-7,10-11,14H2,1-4H3,(H,27,28)(H,29,30) RGFBJSPEJIIMNV-UHFFFAOYSA-N 50365298 CHEMBL1955904 Adenosine receptor A1 Homo sapiens 503 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365298&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951241 136969360 CHEMBL1955904 ZINC73314439 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720354 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(O)=O)nn1C InChI=1S/C24H26N8O5/c1-4-8-31-21-19(22(33)32(9-5-2)24(31)36)27-20(28-21)16-11-18(29-30(16)3)37-12-17-25-14-7-6-13(23(34)35)10-15(14)26-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,25,26)(H,27,28)(H,34,35) ZACICKPVHVNXJX-UHFFFAOYSA-N 50365299 CHEMBL1955905 Adenosine receptor A1 Homo sapiens 4558 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365299&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951242 136969361 CHEMBL1955905 ZINC73315038 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720355 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3c(C)cccc3[nH]2)nn1C InChI=1S/C24H28N8O3/c1-5-10-31-22-20(23(33)32(11-6-2)24(31)34)27-21(28-22)16-12-18(29-30(16)4)35-13-17-25-15-9-7-8-14(3)19(15)26-17/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,25,26)(H,27,28) RHKYMFDJXMOSJT-UHFFFAOYSA-N 50365300 CHEMBL1955906 Adenosine receptor A1 Homo sapiens 685 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365300&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951243 136969362 CHEMBL1955906 ZINC73314441 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720356 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(Cl)c3[nH]2)C(F)(F)F)nn1C InChI=1S/C24H24ClF3N8O3/c1-4-6-35-21-19(22(37)36(7-5-2)23(35)38)31-20(32-21)15-10-17(33-34(15)3)39-11-16-29-14-9-12(24(26,27)28)8-13(25)18(14)30-16/h8-10H,4-7,11H2,1-3H3,(H,29,30)(H,31,32) WKXKCXMIZAUYBL-UHFFFAOYSA-N 50365301 CHEMBL1955907 Adenosine receptor A1 Homo sapiens 2530 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365301&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56924645 136969363 CHEMBL1955907 ZINC73315040 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720357 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)nn1C InChI=1S/C25H24F6N8O3/c1-4-6-38-21-19(22(40)39(7-5-2)23(38)41)34-20(35-21)15-10-17(36-37(15)3)42-11-16-32-14-9-12(24(26,27)28)8-13(18(14)33-16)25(29,30)31/h8-10H,4-7,11H2,1-3H3,(H,32,33)(H,34,35) RSOSRONOSYJDHN-UHFFFAOYSA-N 50365302 CHEMBL1955908 Adenosine receptor A1 Homo sapiens 4462 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365302&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951244 136969364 CHEMBL1955908 ZINC73310423 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720358 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)nn1C InChI=1S/C23H24ClFN8O3/c1-4-6-32-21-19(22(34)33(7-5-2)23(32)35)28-20(29-21)16-10-18(30-31(16)3)36-11-17-26-14-8-12(24)13(25)9-15(14)27-17/h8-10H,4-7,11H2,1-3H3,(H,26,27)(H,28,29) RIEYPMKWQZWMSS-UHFFFAOYSA-N 50365303 CHEMBL1955909 Adenosine receptor A1 Homo sapiens 210 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365303&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951382 136969365 CHEMBL1955909 ZINC73311098 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720359 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(C)c(C)cc3[nH]2)nn1C InChI=1S/C25H30N8O3/c1-6-8-32-23-21(24(34)33(9-7-2)25(32)35)28-22(29-23)18-12-20(30-31(18)5)36-13-19-26-16-10-14(3)15(4)11-17(16)27-19/h10-12H,6-9,13H2,1-5H3,(H,26,27)(H,28,29) UHQMCVOXCIEAFP-UHFFFAOYSA-N 50365304 CHEMBL1955910 Adenosine receptor A1 Homo sapiens 734 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365304&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951383 136969366 CHEMBL1955910 ZINC73311100 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720360 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3c(=O)[nH]2)nn1C InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(34)32(11-5-2)24(31)35)27-20(28-21)16-12-18(29-30(16)3)36-13-17-25-15-9-7-6-8-14(15)22(33)26-17/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,27,28)(H,25,26,33) MKTURYJRZQGYAQ-UHFFFAOYSA-N 50365305 CHEMBL1955911 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365305&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56950988 136969367 CHEMBL1955911 ZINC73297668 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720361 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ncncc3[nH]2)nn1C InChI=1S/C21H24N10O3/c1-4-6-30-19-16(20(32)31(7-5-2)21(30)33)26-18(27-19)13-8-15(28-29(13)3)34-10-14-24-12-9-22-11-23-17(12)25-14/h8-9,11H,4-7,10H2,1-3H3,(H,26,27)(H,22,23,24,25) QXSSAXJZEFGCLX-UHFFFAOYSA-N 50365306 CHEMBL1955912 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365306&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951621 136969368 CHEMBL1955912 ZINC73297672 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720362 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2noc(n2)-c2cccc(OC)c2)nn1C InChI=1S/C25H28N8O5/c1-5-10-32-22-20(24(34)33(11-6-2)25(32)35)27-21(28-22)17-13-19(29-31(17)3)37-14-18-26-23(38-30-18)15-8-7-9-16(12-15)36-4/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,27,28) OQXWNCXKKYHQJW-UHFFFAOYSA-N 50365307 CHEMBL1955913 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365307&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951622 136969369 CHEMBL1955913 ZINC73314051 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720363 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)no1 InChI=1S/C22H23N7O4/c1-3-9-28-20-18(21(30)29(10-4-2)22(28)31)25-19(26-20)15-11-17(27-33-15)32-12-16-23-13-7-5-6-8-14(13)24-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,23,24)(H,25,26) BFWGUIMAVHGBDL-UHFFFAOYSA-N 50365308 CHEMBL1955914 Adenosine receptor A1 Homo sapiens 277 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365308&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951384 136969370 CHEMBL1955914 ZINC73294108 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720364 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Cl)cc3[nH]2)no1 InChI=1S/C22H22ClN7O4/c1-3-7-29-20-18(21(31)30(8-4-2)22(29)32)26-19(27-20)15-10-17(28-34-15)33-11-16-24-13-6-5-12(23)9-14(13)25-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,24,25)(H,26,27) GKBPCBTUPPBPDV-UHFFFAOYSA-N 50365309 CHEMBL1955915 Adenosine receptor A1 Homo sapiens 66 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365309&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951385 136969371 CHEMBL1955915 ZINC73294111 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720365 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Br)cc3[nH]2)no1 InChI=1S/C22H22BrN7O4/c1-3-7-29-20-18(21(31)30(8-4-2)22(29)32)26-19(27-20)15-10-17(28-34-15)33-11-16-24-13-6-5-12(23)9-14(13)25-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,24,25)(H,26,27) PZXWNFHYCQSQAL-UHFFFAOYSA-N 50365310 CHEMBL1955916 Adenosine receptor A1 Homo sapiens 89 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365310&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951620 136969372 CHEMBL1955916 ZINC73294113 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720366 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)no1 InChI=1S/C23H22F3N7O4/c1-3-7-32-20-18(21(34)33(8-4-2)22(32)35)29-19(30-20)15-10-17(31-37-15)36-11-16-27-13-6-5-12(23(24,25)26)9-14(13)28-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H,29,30) MNIHHYOLPVXGES-UHFFFAOYSA-N 50365311 CHEMBL1955917 Adenosine receptor A1 Homo sapiens 175 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365311&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951504 136969373 CHEMBL1955917 ZINC73294117 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720367 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(OC)cc3[nH]2)no1 InChI=1S/C23H25N7O5/c1-4-8-29-21-19(22(31)30(9-5-2)23(29)32)26-20(27-21)16-11-18(28-35-16)34-12-17-24-14-7-6-13(33-3)10-15(14)25-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,24,25)(H,26,27) USFUXWNLUXTWDF-UHFFFAOYSA-N 50365312 CHEMBL1955918 Adenosine receptor A1 Homo sapiens 304 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365312&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951505 136969374 CHEMBL1955918 ZINC73294119 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50732439 OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C17H22ClN5O2/c18-16-21-14(20-9-3-1-2-4-9)13-15(22-16)23(8-19-13)11-5-12(25)17(7-24)6-10(11)17/h8-12,24-25H,1-7H2,(H,20,21,22)/t10-,11+,12+,17+/m1/s1 JKXQVOVVTTUXHT-QLQJRFMMSA-N 50100417 (1R,2S,4S,5S)-4-(2-Chloro-6-cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexan-2-ol::CHEMBL27593 Adenosine receptor A1 Homo sapiens 2280 ChEMBL 10.1016/s0960-894x(01)00213-x 10.7270/Q2445N1F 11392549 Lee, K; Ravi, G; Ji, XD; Marquez, VE; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100417&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44276273 103997192 CHEMBL27593 ZINC28762719 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720368 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1 InChI=1S/C22H21ClFN7O4/c1-3-5-30-20-18(21(32)31(6-4-2)22(30)33)27-19(28-20)15-9-17(29-35-15)34-10-16-25-13-7-11(23)12(24)8-14(13)26-16/h7-9H,3-6,10H2,1-2H3,(H,25,26)(H,27,28) KZZQMKPCBPMZPV-UHFFFAOYSA-N 50365313 CHEMBL1955919 Adenosine receptor A1 Homo sapiens 65 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365313&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951506 136969375 CHEMBL1955919 ZINC73315176 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720369 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(Cl)c3[nH]2)C(F)(F)F)no1 InChI=1S/C23H21ClF3N7O4/c1-3-5-33-20-18(21(35)34(6-4-2)22(33)36)30-19(31-20)14-9-16(32-38-14)37-10-15-28-13-8-11(23(25,26)27)7-12(24)17(13)29-15/h7-9H,3-6,10H2,1-2H3,(H,28,29)(H,30,31) QCNVCRXSWYLHNE-UHFFFAOYSA-N 50365314 CHEMBL1955920 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365314&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951507 136969376 CHEMBL1955920 ZINC73315785 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720370 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)no1 InChI=1S/C24H21F6N7O4/c1-3-5-36-20-18(21(38)37(6-4-2)22(36)39)33-19(34-20)14-9-16(35-41-14)40-10-15-31-13-8-11(23(25,26)27)7-12(17(13)32-15)24(28,29)30/h7-9H,3-6,10H2,1-2H3,(H,31,32)(H,33,34) CGEMHBASDGRUSC-UHFFFAOYSA-N 50365315 CHEMBL1955921 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365315&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951508 136969377 CHEMBL1955921 ZINC73315788 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720371 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C InChI=1S/C15H20N6O3/c1-4-6-20-13-11(14(23)21(7-5-2)15(20)24)16-12(17-13)9-8-10(22)18-19(9)3/h8H,4-7H2,1-3H3,(H,16,17)(H,18,22) QBKBEKACNQYKGJ-UHFFFAOYSA-N 50365316 CHEMBL1955922 Adenosine receptor A1 Homo sapiens 733 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365316&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56924646 136969378 CHEMBL1955922 ZINC73315789 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720372 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C InChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22) XTPGQKWWIMCPGM-UHFFFAOYSA-N 50365317 CHEMBL1955923 Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365317&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951623 136969379 CHEMBL1955923 ZINC73315791 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720373 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C InChI=1S/C24H27N7O3/c1-4-10-30-19-12-17(27-22(19)23(32)31(11-5-2)24(30)33)18-13-21(28-29(18)3)34-14-20-25-15-8-6-7-9-16(15)26-20/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,25,26) DSNWPXFUFSXEPQ-UHFFFAOYSA-N 50365318 CHEMBL1955924 Adenosine receptor A1 Homo sapiens 34 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365318&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951624 136969380 CHEMBL1955924 ZINC73314582 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720374 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C InChI=1S/C24H27FN6O4/c1-4-10-30-19-12-17(27-22(19)23(33)31(11-5-2)24(30)34)18-13-21(28-29(18)3)35-14-20(32)26-16-8-6-15(25)7-9-16/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,26,32) NZLUWVFBFQTKLH-UHFFFAOYSA-N 50365319 CHEMBL1955925 Adenosine receptor A1 Homo sapiens 45 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365319&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56949636 136969381 CHEMBL1955925 ZINC73310490 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720375 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C InChI=1S/C25H28N6O6/c1-4-8-30-18-11-16(27-23(18)24(33)31(9-5-2)25(30)34)17-12-22(28-29(17)3)35-13-21(32)26-15-6-7-19-20(10-15)37-14-36-19/h6-7,10-12,27H,4-5,8-9,13-14H2,1-3H3,(H,26,32) LIDSLGCUDZIDST-UHFFFAOYSA-N 50365320 CHEMBL1955926 Adenosine receptor A1 Homo sapiens 55 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365320&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56949637 136969382 CHEMBL1955926 ZINC73310493 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720376 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27) NAJAEXIYPDYMBU-UHFFFAOYSA-N 50140970 2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-N-(4-fluoro-phenyl)-acetamide::CHEMBL289903 Adenosine receptor A1 Homo sapiens 65 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140970&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10311051 104030483 CHEMBL289903 ZINC13559746 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720377 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27) DBWQRFKXNBVPGA-UHFFFAOYSA-N 50229885 CHEMBL260331::CHEMBL506685::N-(benzo[d][1,3]dioxol-5-yl)-2-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy)acetamide::N-Benzo[1,3]dioxol-5-yl-2-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetamide Adenosine receptor A1 Homo sapiens 200 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229885&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44451245 104098216 CHEMBL506685CHEMBL260331 390 ZINC13559747 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720463 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Br)cc3[nH]2)nn1C InChI=1S/C23H25BrN8O3/c1-4-8-31-21-19(22(33)32(9-5-2)23(31)34)27-20(28-21)16-11-18(29-30(16)3)35-12-17-25-14-7-6-13(24)10-15(14)26-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,25,26)(H,27,28) DOKHKQAPSVBYBJ-UHFFFAOYSA-N 50365324 CHEMBL1955901 Adenosine receptor A1 Homo sapiens 280 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365324&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951115 136969386 CHEMBL1955901 ZINC73312322 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720464 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)nn1C InChI=1S/C24H25F3N8O3/c1-4-8-34-21-19(22(36)35(9-5-2)23(34)37)30-20(31-21)16-11-18(32-33(16)3)38-12-17-28-14-7-6-13(24(25,26)27)10-15(14)29-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,28,29)(H,30,31) VTNFCZODLYWAOK-UHFFFAOYSA-N 50365325 CHEMBL1955902 Adenosine receptor A1 Homo sapiens 576 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365325&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951116 136969387 CHEMBL1955902 ZINC73312325 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50720465 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(C)cc3[nH]2)nn1C InChI=1S/C24H28N8O3/c1-5-9-31-22-20(23(33)32(10-6-2)24(31)34)27-21(28-22)17-12-19(29-30(17)4)35-13-18-25-15-8-7-14(3)11-16(15)26-18/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,25,26)(H,27,28) XLZPLKDYAYMHNY-UHFFFAOYSA-N 50365326 CHEMBL1955903 Adenosine receptor A1 Homo sapiens 736 ChEMBL 10.1021/jm201292w 10.7270/Q2862GXT 22148859 Baraldi, PG; Baraldi, S; Saponaro, G; Preti, D; Romagnoli, R; Piccagli, L; Cavalli, A; Recanatini, M; Moorman, AR; Zaid, AN; Varani, K; Borea, PA; Tabrizi, MA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365326&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 56951117 136969388 CHEMBL1955903 ZINC73314437 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50734420 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 InChI=1S/C28H38N10O7/c1-2-29-27(41)24-22(39)23(40)28(44-24)37-16-34-21-25(32-15-33-26(21)37)31-14-10-8-6-4-3-5-7-9-13-30-17-11-12-18(38(42)43)20-19(17)35-45-36-20/h11-12,15-16,22-24,28,30,39-40H,2-10,13-14H2,1H3,(H,29,41)(H,31,32,33) ZRVXKIGWMZOKNP-UHFFFAOYSA-N 50366766 CHEMBL611562 Adenosine receptor A1 Homo sapiens 6350 ChEMBL 10.1016/s0960-894x(01)00610-2 10.7270/Q2RJ4K0H 11714602 Macchia, M; Salvetti, F; Bertini, S; Di Bussolo, V; Gattuso, L; Gesi, M; Hamdan, M; Klotz, KN; Laragione, T; Lucacchini, A; Minutolo, F; Nencetti, S; Papi, C; Tuscano, D; Martini, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366766&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333843 160845868 CHEMBL611562 ZINC49775162 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50734421 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 InChI=1S/C20H22N10O7/c1-2-21-19(33)16-14(31)15(32)20(36-16)29-8-26-13-17(24-7-25-18(13)29)23-6-5-22-9-3-4-10(30(34)35)12-11(9)27-37-28-12/h3-4,7-8,14-16,20,22,31-32H,2,5-6H2,1H3,(H,21,33)(H,23,24,25) AGHBSDMIMVOTOO-UHFFFAOYSA-N 50366765 CHEMBL611552 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/s0960-894x(01)00610-2 10.7270/Q2RJ4K0H 11714602 Macchia, M; Salvetti, F; Bertini, S; Di Bussolo, V; Gattuso, L; Gesi, M; Hamdan, M; Klotz, KN; Laragione, T; Lucacchini, A; Minutolo, F; Nencetti, S; Papi, C; Tuscano, D; Martini, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366765&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333404 160845867 CHEMBL611552 ZINC49031328 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50734425 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 InChI=1S/C22H26N10O7/c1-2-23-21(35)18-16(33)17(34)22(38-18)31-10-28-15-19(26-9-27-20(15)31)25-8-4-3-7-24-11-5-6-12(32(36)37)14-13(11)29-39-30-14/h5-6,9-10,16-18,22,24,33-34H,2-4,7-8H2,1H3,(H,23,35)(H,25,26,27) SUIHHSFSJCVDHT-UHFFFAOYSA-N 50366769 CHEMBL611274 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/s0960-894x(01)00610-2 10.7270/Q2RJ4K0H 11714602 Macchia, M; Salvetti, F; Bertini, S; Di Bussolo, V; Gattuso, L; Gesi, M; Hamdan, M; Klotz, KN; Laragione, T; Lucacchini, A; Minutolo, F; Nencetti, S; Papi, C; Tuscano, D; Martini, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366769&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333155 160845871 CHEMBL611274 ZINC49771518 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50734428 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 InChI=1S/C24H30N10O7/c1-2-25-23(37)20-18(35)19(36)24(40-20)33-12-30-17-21(28-11-29-22(17)33)27-10-6-4-3-5-9-26-13-7-8-14(34(38)39)16-15(13)31-41-32-16/h7-8,11-12,18-20,24,26,35-36H,2-6,9-10H2,1H3,(H,25,37)(H,27,28,29) JEXFNNUDLKOIMC-UHFFFAOYSA-N 50366767 CHEMBL611273 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/s0960-894x(01)00610-2 10.7270/Q2RJ4K0H 11714602 Macchia, M; Salvetti, F; Bertini, S; Di Bussolo, V; Gattuso, L; Gesi, M; Hamdan, M; Klotz, KN; Laragione, T; Lucacchini, A; Minutolo, F; Nencetti, S; Papi, C; Tuscano, D; Martini, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366767&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333154 160845869 CHEMBL611273 ZINC49792385 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50734432 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens >200 ChEMBL 10.1016/s0960-894x(01)00610-2 10.7270/Q2RJ4K0H 11714602 Macchia, M; Salvetti, F; Bertini, S; Di Bussolo, V; Gattuso, L; Gesi, M; Hamdan, M; Klotz, KN; Laragione, T; Lucacchini, A; Minutolo, F; Nencetti, S; Papi, C; Tuscano, D; Martini, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50734434 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 InChI=1S/C26H34N10O7/c1-2-27-25(39)22-20(37)21(38)26(42-22)35-14-32-19-23(30-13-31-24(19)35)29-12-8-6-4-3-5-7-11-28-15-9-10-16(36(40)41)18-17(15)33-43-34-18/h9-10,13-14,20-22,26,28,37-38H,2-8,11-12H2,1H3,(H,27,39)(H,29,30,31) XAZHRVUTEATTIV-UHFFFAOYSA-N 50366768 CHEMBL611561 Adenosine receptor A1 Homo sapiens 3476 ChEMBL 10.1016/s0960-894x(01)00610-2 10.7270/Q2RJ4K0H 11714602 Macchia, M; Salvetti, F; Bertini, S; Di Bussolo, V; Gattuso, L; Gesi, M; Hamdan, M; Klotz, KN; Laragione, T; Lucacchini, A; Minutolo, F; Nencetti, S; Papi, C; Tuscano, D; Martini, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366768&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44333842 160845870 CHEMBL611561 ZINC49775091 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50741846 CCN(C)C1CCCc2ccncc12 InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3 GPCVUHGDQJVKPL-UHFFFAOYSA-N 50366923 CHEMBL1794855 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.05.020 10.7270/Q2J103QK 15203136 Dukat, M; Taroua, M; Dahdouh, A; Siripurapu, U; Damaj, MI; Martin, BR; Glennon, RA Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366923&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10465137 160846025 CHEMBL1794855 ZINC27181122 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50780877 CNc1ncnc2n(Cc3ccccc3F)cnc12 InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17) MZABAGHILOTTOD-UHFFFAOYSA-N 50058210 CHEMBL445098::[9-(2-Fluoro-benzyl)-9H-purin-6-yl]-methyl-amine; compound with methanesulfonic acid Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm960827x 10.7270/Q25T3M4T 9191951 Bourguignon, JJ; Desaubry, L; Raboisson, P; Wermuth, CG; Lugnier, C UPR 421 du CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50058210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50058210&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 127779 103954187 CHEMBL445098 ZINC05996560 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50802838 Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O InChI=1S/C19H18ClN3O5/c20-13-9-17-16(27-11-28-17)8-12(13)10-26-19(25)21-6-3-7-23-15-5-2-1-4-14(15)22-18(23)24/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,25)(H,22,24) JJXREGYWYMPRSA-UHFFFAOYSA-N 50105071 CHEMBL333843::[3-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-carbamic acid 6-chloro-benzo[1,3]dioxol-5-ylmethyl ester Adenosine receptor A1 Homo sapiens 344 ChEMBL 10.1021/jm010878g 10.7270/Q2057GN9 11585444 Poulain, R; Horvath, D; Bonnet, B; Eckhoff, C; Chapelain, B; Bodinier, MC; Deprez, B Universities of Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105071&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11003971 104000868 CHEMBL333843 ZINC13864290 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50802962 Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O InChI=1S/C21H20ClN3O5/c22-15-10-19-18(29-12-30-19)9-13(15)11-28-21(27)24-7-5-14(6-8-24)25-17-4-2-1-3-16(17)23-20(25)26/h1-4,9-10,14H,5-8,11-12H2,(H,23,26) HLZHNRNWOPIWCL-UHFFFAOYSA-N 50105061 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid 6-chloro-benzo[1,3]dioxol-5-ylmethyl ester::CHEMBL115444 Adenosine receptor A1 Homo sapiens 2640 ChEMBL 10.1021/jm010878g 10.7270/Q2057GN9 11585444 Poulain, R; Horvath, D; Bonnet, B; Eckhoff, C; Chapelain, B; Bodinier, MC; Deprez, B Universities of Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105061&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11059058 104000858 CHEMBL115444 ZINC13864289 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50793757 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A1 Homo sapiens 289 ChEMBL 10.1021/jm9804984 10.7270/Q2X34Z4X 10212124 de Zwart, M; Kourounakis, A; Kooijman, H; Spek, AL; Link, R; von Frijtag Drabbe Kunzel, JK; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50793761 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 14 ChEMBL 10.1021/jm9804984 10.7270/Q2X34Z4X 10212124 de Zwart, M; Kourounakis, A; Kooijman, H; Spek, AL; Link, R; von Frijtag Drabbe Kunzel, JK; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50793768 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 3.7 ChEMBL 10.1021/jm9804984 10.7270/Q2X34Z4X 10212124 de Zwart, M; Kourounakis, A; Kooijman, H; Spek, AL; Link, R; von Frijtag Drabbe Kunzel, JK; IJzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50795028 OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H20IN5O3/c19-12-3-1-2-10(4-12)6-20-17-14-18(22-8-21-17)24(9-23-14)13-5-11(7-25)15(26)16(13)27/h1-4,8-9,11,13,15-16,25-27H,5-7H2,(H,20,21,22)/t11-,13-,15-,16+/m1/s1 JIBVHQBGLJITFH-CUBALJKWSA-N 50088420 3-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-cyclopentane-1,2-diol::CHEMBL71385 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm9905965 10.7270/Q2ZW1MM5 10841798 Jacobson, KA; Ji, X; Li, AH; Melman, N; Siddiqui, MA; Shin, KJ; Marquez, VE; Ravi, RG National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088420&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44309799 103987335 CHEMBL71385 ZINC13808606 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50795039 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C17H23N5O3/c23-6-17-5-10(17)12(13(24)14(17)25)22-8-20-11-15(18-7-19-16(11)22)21-9-3-1-2-4-9/h7-10,12-14,23-25H,1-6H2,(H,18,19,21)/t10-,12-,13+,14+,17+/m1/s1 PSTJTJSXZYZTNV-ZLQDYUCGSA-N 50088424 (1R,2R,3S,4R,5S)-4-(6-Cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-(6-Cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL27952 Adenosine receptor A1 Homo sapiens 22 ChEMBL 10.1021/jm9905965 10.7270/Q2ZW1MM5 10841798 Jacobson, KA; Ji, X; Li, AH; Melman, N; Siddiqui, MA; Shin, KJ; Marquez, VE; Ravi, RG National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088424&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9906178 103987339 CHEMBL27952 ZINC13808604 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50795046 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 SQMWSBKSHWARHU-SDBHATRESA-N 25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378 Adenosine receptor A1 Homo sapiens 4.2 ChEMBL 10.1021/jm9905965 10.7270/Q2ZW1MM5 10841798 Jacobson, KA; Ji, X; Li, AH; Melman, N; Siddiqui, MA; Shin, KJ; Marquez, VE; Ravi, RG National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25400&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 3GU 3GU8 657378 56374539 CHEMBL68738 ZINC03995996 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50795048 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1 TWLWIJNPUVZDOB-LSCFUAHRSA-N 50088422 (2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL66393 Adenosine receptor A1 Homo sapiens 43 ChEMBL 10.1021/jm9905965 10.7270/Q2ZW1MM5 10841798 Jacobson, KA; Ji, X; Li, AH; Melman, N; Siddiqui, MA; Shin, KJ; Marquez, VE; Ravi, RG National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088422&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10254700 103987337 CHEMBL66393 ZINC03985921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50795066 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C17H22ClN5O3/c18-16-21-14(20-8-3-1-2-4-8)10-15(22-16)23(7-19-10)11-9-5-17(9,6-24)13(26)12(11)25/h7-9,11-13,24-26H,1-6H2,(H,20,21,22)/t9-,11-,12+,13+,17+/m1/s1 BUOKJEIZVUAMBO-RFFHHDCGSA-N 50088423 (1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-(2-Chloro-6-cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL284216 Adenosine receptor A1 Homo sapiens 31 ChEMBL 10.1021/jm9905965 10.7270/Q2ZW1MM5 10841798 Jacobson, KA; Ji, X; Li, AH; Melman, N; Siddiqui, MA; Shin, KJ; Marquez, VE; Ravi, RG National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088423&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9799990 103987338 CHEMBL284216 ZINC13808608 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50795071 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H20IN5O3/c20-11-3-1-2-10(4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1 VIXCVSNTFYSXDO-DPNDMPAOSA-N 50088425 (1R,2R,3S,4R,5S)-1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-2,3-diol::1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-2,3-diol::1-hydroxymethyl-4-[6-(3-iodobenzylamino)-9H-9-purinyl]-(1R,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL417292 Adenosine receptor A1 Homo sapiens 218 ChEMBL 10.1021/jm9905965 10.7270/Q2ZW1MM5 10841798 Jacobson, KA; Ji, X; Li, AH; Melman, N; Siddiqui, MA; Shin, KJ; Marquez, VE; Ravi, RG National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088425&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9805713 103987340 CHEMBL417292 ZINC03975385 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50795082 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1 ISZYFLVJJCPYGN-NFPQMFLLSA-N 50088428 (1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-1-hydroxymethyl-(1R,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL27809 Adenosine receptor A1 Homo sapiens 142 ChEMBL 10.1021/jm9905965 10.7270/Q2ZW1MM5 10841798 Jacobson, KA; Ji, X; Li, AH; Melman, N; Siddiqui, MA; Shin, KJ; Marquez, VE; Ravi, RG National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088428&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9893136 103987343 CHEMBL27809 ZINC03975387 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50806196 CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 InChI=1S/C20H21N5O4/c1-2-21-18-15-19(24-14(23-18)9-8-12-6-4-3-5-7-12)25(11-22-15)20-17(28)16(27)13(10-26)29-20/h3-7,11,13,16-17,20,26-28H,2,10H2,1H3,(H,21,23,24)/t13-,16-,17-,20?/m1/s1 OVWITDYOKXEQLX-WLEDDMDJSA-N 50370121 CHEMBL607759 Adenosine receptor A1 Homo sapiens 1176 ChEMBL 10.1021/jm0109762 10.7270/Q2XW4KJP 12109910 Volpini, R; Costanzi, S; Lambertucci, C; Taffi, S; Vittori, S; Klotz, KN; Cristalli, G Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370121&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46875997 160849223 CHEMBL607759 ZINC49109923 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50806199 CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25?,26?/m0/s1 UYYUHWSVKOGLPA-ZCCOPBOASA-N 50009263 (2S,3S,4R,5R)-5-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::CHEMBL75416::tert-butyl 1-[3-(1-amino-2-benzyloxycarbamoylethylcarboxamido)-2-hydroxy-4-phenylbutyl]tetrahydro-1H-2-pyrrolecarboxylate Adenosine receptor A1 Homo sapiens 60 ChEMBL 10.1021/jm0109762 10.7270/Q2XW4KJP 12109910 Volpini, R; Costanzi, S; Lambertucci, C; Taffi, S; Vittori, S; Klotz, KN; Cristalli, G Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009263&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44314211 103922319 CHEMBL75416 ZINC28759913 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826544 CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C16H20N8O5/c1-17-12-9-13(22-16(21-12)24-4-7(3-20-24)14(28)18-2)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H,18,28)(H,17,21,22)/t8-,10-,11-,15?/m1/s1 NLHSUOFVYXIUGC-LUPRYYEXSA-N 50152074 1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methylamino-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide::CHEMBL426436 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152074&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396533 104040206 CHEMBL426436 ZINC13582889 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826546 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C22H23ClN8O5/c1-24-18-15-19(30(10-26-15)21-17(34)16(33)14(9-32)36-21)29-22(28-18)31-8-12(7-27-31)20(35)25-6-11-2-4-13(23)5-3-11/h2-5,7-8,10,14,16-17,21,32-34H,6,9H2,1H3,(H,25,35)(H,24,28,29)/t14-,16-,17-,21?/m1/s1 NVYOVCWFMVMAKW-BROWDQIMSA-N 50152073 1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methylamino-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid 4-chloro-benzylamide::CHEMBL184557 Adenosine receptor A1 Homo sapiens 2000 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152073&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396500 104040205 CHEMBL184557 ZINC13582905 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826551 CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C18H24N8O5/c1-3-4-20-16(30)9-5-22-26(6-9)18-23-14(19-2)11-15(24-18)25(8-21-11)17-13(29)12(28)10(7-27)31-17/h5-6,8,10,12-13,17,27-29H,3-4,7H2,1-2H3,(H,20,30)(H,19,23,24)/t10-,12-,13-,17?/m1/s1 QLELJUGAIBTYHI-VGWNDNRCSA-N 50152077 1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methylamino-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid propylamide::CHEMBL189069 Adenosine receptor A1 Homo sapiens >4000 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152077&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396545 104040209 CHEMBL189069 ZINC13582899 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826552 CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1 InChI=1S/C22H25N7O5/c1-3-23-19-16-20(28(11-24-16)21-18(32)17(31)15(10-30)34-21)27-22(26-19)29-9-13(8-25-29)12-4-6-14(33-2)7-5-12/h4-9,11,15,17-18,21,30-32H,3,10H2,1-2H3,(H,23,26,27)/t15-,17-,18-,21?/m1/s1 RWRIXGUSCOWTAI-GWRCBPMCSA-N 50152080 2-{6-Ethylamino-2-[4-(4-methoxy-phenyl)-pyrazol-1-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL361725 Adenosine receptor A1 Homo sapiens 3700 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152080&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396587 104040212 CHEMBL361725 ZINC13582922 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826557 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1 InChI=1S/C25H23IN8O4/c26-16-5-3-4-14(8-16)9-28-22-19-23(33(13-29-19)24-21(37)20(36)18(12-35)38-24)32-25(31-22)34-11-15(10-30-34)17-6-1-2-7-27-17/h1-8,10-11,13,18,20-21,24,35-37H,9,12H2,(H,28,31,32)/t18-,20-,21-,24?/m1/s1 QWTDGPJLRKNHEC-BPOYXTRHSA-N 50152076 2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-pyridin-2-yl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL362117 Adenosine receptor A1 Homo sapiens 4200 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152076&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396470 104040208 CHEMBL362117 ZINC28389090 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826561 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1cccnc1 InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-3-2-4-21-5-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1 AERVIDMZGBOLAP-PZGKNFOESA-N 50152070 2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-3-yl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL186443 Adenosine receptor A1 Homo sapiens 1800 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152070&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396478 104040202 CHEMBL186443 ZINC28457253 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826568 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1nc2ccccc2o1 InChI=1S/C21H20N8O5/c1-22-17-14-18(28(9-23-14)20-16(32)15(31)13(8-30)34-20)27-21(26-17)29-7-10(6-24-29)19-25-11-4-2-3-5-12(11)33-19/h2-7,9,13,15-16,20,30-32H,8H2,1H3,(H,22,26,27)/t13-,15-,16-,20?/m1/s1 FSXCOMFDJBNLDD-XZHXJBAPSA-N 50152087 2-[2-(4-Benzooxazol-2-yl-pyrazol-1-yl)-6-methylamino-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL361072 Adenosine receptor A1 Homo sapiens 2600 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152087&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10253877 104040219 CHEMBL361072 ZINC13582956 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826569 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1 InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-10(6-23-27)11-4-2-3-5-21-11/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1 QNEMXBBBHJLADK-PZGKNFOESA-N 50152086 2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-2-yl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL186729 Adenosine receptor A1 Homo sapiens 3800 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152086&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10251745 104040218 CHEMBL186729 ZINC13582935 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826572 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1 InChI=1S/C21H23N7O5/c1-22-18-15-19(27(10-23-15)20-17(31)16(30)14(9-29)33-20)26-21(25-18)28-8-12(7-24-28)11-3-5-13(32-2)6-4-11/h3-8,10,14,16-17,20,29-31H,9H2,1-2H3,(H,22,25,26)/t14-,16-,17-,20?/m1/s1 PBPQOBBHDIVSFT-FIALEDGQSA-N 50152089 2-Hydroxymethyl-5-{2-[4-(4-methoxy-phenyl)-pyrazol-1-yl]-6-methylamino-purin-9-yl}-tetrahydro-furan-3,4-diol::CHEMBL365037 Adenosine receptor A1 Homo sapiens >4000 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152089&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396565 104040221 CHEMBL365037 ZINC13582910 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826574 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1 InChI=1S/C23H22N8O4/c1-24-20-17-21(30(11-25-17)22-19(34)18(33)16(10-32)35-22)29-23(28-20)31-9-13(8-26-31)15-7-6-12-4-2-3-5-14(12)27-15/h2-9,11,16,18-19,22,32-34H,10H2,1H3,(H,24,28,29)/t16-,18-,19-,22?/m1/s1 FRBMRESRMWYBHN-BEBASYGKSA-N 50152071 2-Hydroxymethyl-5-[6-methylamino-2-(4-quinolin-2-yl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL183940 Adenosine receptor A1 Homo sapiens >5000 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152071&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396444 104040203 CHEMBL183940 ZINC13582944 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826575 CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1 InChI=1S/C20H22N8O4/c1-2-21-17-14-18(27(10-23-14)19-16(31)15(30)13(9-29)32-19)26-20(25-17)28-8-11(7-24-28)12-5-3-4-6-22-12/h3-8,10,13,15-16,19,29-31H,2,9H2,1H3,(H,21,25,26)/t13-,15-,16-,19?/m1/s1 CSZTXEWLZCFIMW-XAUNWSGPSA-N 50152078 2-[6-Ethylamino-2-(4-pyridin-2-yl-pyrazol-1-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL187860 Adenosine receptor A1 Homo sapiens 1300 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152078&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396434 104040210 CHEMBL187860 ZINC28394463 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826576 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccncc1 InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-2-4-21-5-3-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1 MVBQABNOCNUFAM-PZGKNFOESA-N 50152090 2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-4-yl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL361938 Adenosine receptor A1 Homo sapiens 3800 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152090&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396450 104040222 CHEMBL361938 ZINC13582930 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826577 CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1 InChI=1S/C23H27N7O5/c1-3-8-24-20-17-21(29(12-25-17)22-19(33)18(32)16(11-31)35-22)28-23(27-20)30-10-14(9-26-30)13-4-6-15(34-2)7-5-13/h4-7,9-10,12,16,18-19,22,31-33H,3,8,11H2,1-2H3,(H,24,27,28)/t16-,18-,19-,22?/m1/s1 FQJZIIJRMRFRLT-BEBASYGKSA-N 50152082 2-Hydroxymethyl-5-{2-[4-(4-methoxy-phenyl)-pyrazol-1-yl]-6-propylamino-purin-9-yl}-tetrahydro-furan-3,4-diol::CHEMBL188482 Adenosine receptor A1 Homo sapiens 3000 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152082&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396546 104040214 CHEMBL188482 ZINC13582926 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826580 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 54 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826582 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1nccc2ccccc12 InChI=1S/C29H25IN8O4/c30-19-6-3-4-16(10-19)11-32-26-23-27(37(15-33-23)28-25(41)24(40)21(14-39)42-28)36-29(35-26)38-13-18(12-34-38)22-20-7-2-1-5-17(20)8-9-31-22/h1-10,12-13,15,21,24-25,28,39-41H,11,14H2,(H,32,35,36)/t21-,24-,25-,28?/m1/s1 FIQBKQNBKDSJOA-PSNVSEBLSA-N 50152091 2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-isoquinolin-1-yl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL363458 Adenosine receptor A1 Homo sapiens 770 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152091&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396516 104040223 CHEMBL363458 ZINC28387241 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826590 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1 InChI=1S/C20H20ClN7O4/c1-22-17-14-18(27(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)28-7-11(6-24-28)10-2-4-12(21)5-3-10/h2-7,9,13,15-16,19,29-31H,8H2,1H3,(H,22,25,26)/t13-,15-,16-,19?/m1/s1 YOMQVZJICIFAEN-XAUNWSGPSA-N 50152075 2-{2-[4-(4-Chloro-phenyl)-pyrazol-1-yl]-6-methylamino-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL365642 Adenosine receptor A1 Homo sapiens >6000 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152075&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396515 104040207 CHEMBL365642 ZINC13582916 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826592 COc1ccc(cc1)-c1cnn(c1)-c1nc(NCc2cccc(I)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C27H26IN7O5/c1-39-19-7-5-16(6-8-19)17-11-31-35(12-17)27-32-24(29-10-15-3-2-4-18(28)9-15)21-25(33-27)34(14-30-21)26-23(38)22(37)20(13-36)40-26/h2-9,11-12,14,20,22-23,26,36-38H,10,13H2,1H3,(H,29,32,33)/t20-,22-,23-,26?/m1/s1 LHHKPNOHZCRPQI-CUVLRLMBSA-N 50152092 2-Hydroxymethyl-5-{6-(3-iodo-benzylamino)-2-[4-(4-methoxy-phenyl)-pyrazol-1-yl]-purin-9-yl}-tetrahydro-furan-3,4-diol::CHEMBL361075 Adenosine receptor A1 Homo sapiens 4500 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152092&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396487 104040224 CHEMBL361075 ZINC28395229 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50826601 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C21H23N7O4/c1-22-19-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-18(25-19)13-7-24-27(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,14,16-17,21,29-31H,8,10H2,1H3,(H,22,25,26)/t14-,16-,17-,21?/m1/s1 OFZVELXCUDZJHE-BROWDQIMSA-N 50152069 2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-methylamino-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL359991 Adenosine receptor A1 Homo sapiens 1300 ChEMBL 10.1021/jm049682h 10.7270/Q2959JBN 15341491 Elzein, E; Palle, V; Wu, Y; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152069&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44396599 104040201 CHEMBL359991 ZINC13582962 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50822242 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 51 ChEMBL 10.1016/j.bmcl.2004.07.042 10.7270/Q2GB24TK 15341938 Jeong, LS; Kim, MJ; Kim, HO; Gao, ZG; Kim, SK; Jacobson, KA; Chun, MW Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50823913 N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23) SVYGARKLCHDCRO-UHFFFAOYSA-N 50166739 3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thiazol-4-yl]-benzonitrile::CHEMBL195140 Adenosine receptor A1 Homo sapiens 1760 ChEMBL 10.1016/j.bmcl.2005.04.021 10.7270/Q2X63NQG 15876531 Press, NJ; Taylor, RJ; Fullerton, JD; Tranter, P; McCarthy, C; Keller, TH; Brown, L; Cheung, R; Christie, J; Haberthuer, S; Hatto, JD; Keenan, M; Mercer, MK; Press, NE; Sahri, H; Tuffnell, AR; Tweed, M; Fozard, JR Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166739&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9924272 104052165 CHEMBL195140 ZINC28523114 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50823932 [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1 ALMKXOHIUFCWIE-UHFFFAOYSA-M 50166741 4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-thiazol-2-ylcarbamate Adenosine receptor A1 Homo sapiens 2840 ChEMBL 10.1016/j.bmcl.2005.04.021 10.7270/Q2X63NQG 15876531 Press, NJ; Taylor, RJ; Fullerton, JD; Tranter, P; McCarthy, C; Keller, TH; Brown, L; Cheung, R; Christie, J; Haberthuer, S; Hatto, JD; Keenan, M; Mercer, MK; Press, NE; Sahri, H; Tuffnell, AR; Tweed, M; Fozard, JR Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166741&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44402757 104052167 29067 ZINC28523204 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50823936 N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1 InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23) ZNFMHXOUXUCSJG-UHFFFAOYSA-N 50166737 3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thiazol-4-yl]-benzonitrile::CHEMBL193977 Adenosine receptor A1 Homo sapiens 1530 ChEMBL 10.1016/j.bmcl.2005.04.021 10.7270/Q2X63NQG 15876531 Press, NJ; Taylor, RJ; Fullerton, JD; Tranter, P; McCarthy, C; Keller, TH; Brown, L; Cheung, R; Christie, J; Haberthuer, S; Hatto, JD; Keenan, M; Mercer, MK; Press, NE; Sahri, H; Tuffnell, AR; Tweed, M; Fozard, JR Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166737&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10154604 104052163 CHEMBL193977 ZINC28524152 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50823940 N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1 InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23) PWPMYBIVOMROSC-UHFFFAOYSA-N 50166743 3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4-yl]-benzonitrile::CHEMBL372182 Adenosine receptor A1 Homo sapiens 560 ChEMBL 10.1016/j.bmcl.2005.04.021 10.7270/Q2X63NQG 15876531 Press, NJ; Taylor, RJ; Fullerton, JD; Tranter, P; McCarthy, C; Keller, TH; Brown, L; Cheung, R; Christie, J; Haberthuer, S; Hatto, JD; Keenan, M; Mercer, MK; Press, NE; Sahri, H; Tuffnell, AR; Tweed, M; Fozard, JR Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166743&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10132256 104052169 CHEMBL372182 ZINC28525372 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50823941 N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23) JTSBHZQGKKYLJJ-UHFFFAOYSA-N 50166745 3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thiazol-4-yl]-benzonitrile::CHEMBL365172 Adenosine receptor A1 Homo sapiens 3780 ChEMBL 10.1016/j.bmcl.2005.04.021 10.7270/Q2X63NQG 15876531 Press, NJ; Taylor, RJ; Fullerton, JD; Tranter, P; McCarthy, C; Keller, TH; Brown, L; Cheung, R; Christie, J; Haberthuer, S; Hatto, JD; Keenan, M; Mercer, MK; Press, NE; Sahri, H; Tuffnell, AR; Tweed, M; Fozard, JR Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166745&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9924271 104052171 CHEMBL365172 ZINC28524708 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50823944 Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25) UOJOKSDSECSZDQ-UHFFFAOYSA-N 50166735 3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino)-thiazol-4-yl]-benzonitrile::CHEMBL197103 Adenosine receptor A1 Homo sapiens 224 ChEMBL 10.1016/j.bmcl.2005.04.021 10.7270/Q2X63NQG 15876531 Press, NJ; Taylor, RJ; Fullerton, JD; Tranter, P; McCarthy, C; Keller, TH; Brown, L; Cheung, R; Christie, J; Haberthuer, S; Hatto, JD; Keenan, M; Mercer, MK; Press, NE; Sahri, H; Tuffnell, AR; Tweed, M; Fozard, JR Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166735&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44402784 104052161 CHEMBL197103 ZINC28524625 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50823948 Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24) GIWIYSXFGAECEE-UHFFFAOYSA-N 50166742 3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thiazol-4-yl]-benzonitrile::CHEMBL194132 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.04.021 10.7270/Q2X63NQG 15876531 Press, NJ; Taylor, RJ; Fullerton, JD; Tranter, P; McCarthy, C; Keller, TH; Brown, L; Cheung, R; Christie, J; Haberthuer, S; Hatto, JD; Keenan, M; Mercer, MK; Press, NE; Sahri, H; Tuffnell, AR; Tweed, M; Fozard, JR Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166742&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9924994 104052168 CHEMBL194132 ZINC28523176 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829701 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc3OCOc3c2)s1 InChI=1S/C17H12N2O2S/c18-17-19-16-12-3-1-9(5-11(12)7-15(16)22-17)10-2-4-13-14(6-10)21-8-20-13/h1-6H,7-8H2,(H2,18,19)/p+1 JVZBYVLKDIYLSC-UHFFFAOYSA-O 50171352 6-Benzo[1,3]dioxol-5-yl-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL191217 Adenosine receptor A1 Homo sapiens 11600 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171352&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936543 104057597 CHEMBL191217 ZINC13671334 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829702 COc1cc(cc(OC)c1OC)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C19H18N2O3S/c1-22-14-7-11(8-15(23-2)18(14)24-3)10-4-5-13-12(6-10)9-16-17(13)21-19(20)25-16/h4-8H,9H2,1-3H3,(H2,20,21)/p+1 KXEWLRNXWNKWBC-UHFFFAOYSA-O 50171351 6-(3,4,5-Trimethoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL427156 Adenosine receptor A1 Homo sapiens 11800 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171351&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936542 104057596 CHEMBL427156 ZINC13671330 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829703 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)-c2cccs2)s1 InChI=1S/C20H14N2S2/c21-20-22-19-16-7-6-13(10-15(16)11-18(19)24-20)12-3-1-4-14(9-12)17-5-2-8-23-17/h1-10H,11H2,(H2,21,22)/p+1 XRVIGCFTTUQVEY-UHFFFAOYSA-O 50171353 6-(3-Thiophen-2-yl-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium Adenosine receptor A1 Homo sapiens 18200 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171353&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44398964 104057598 ZINC28474242 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829704 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2-c2cc3ccccc3o2)s1 InChI=1S/C24H16N2OS/c25-24-26-23-18-10-9-14(11-16(18)13-22(23)28-24)17-6-2-3-7-19(17)21-12-15-5-1-4-8-20(15)27-21/h1-12H,13H2,(H2,25,26)/p+1 KFMNYQTTYUBINQ-UHFFFAOYSA-O 50171354 6-(2-Benzofuran-2-yl-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL190878 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171354&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936544 104057599 CHEMBL190878 ZINC28466596 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829705 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(F)c2)s1 InChI=1S/C16H11FN2S/c17-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14-15(13)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1 GYQOEHOTSZPKBU-UHFFFAOYSA-O 50171355 6-(3-Fluoro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL425002 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171355&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936545 104057600 CHEMBL425002 ZINC13652955 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829706 COc1ccc(-c2ccc-3c(Cc4sc([NH3+])nc-34)c2)c(OC)c1OC InChI=1S/C19H18N2O3S/c1-22-14-7-6-13(17(23-2)18(14)24-3)10-4-5-12-11(8-10)9-15-16(12)21-19(20)25-15/h4-8H,9H2,1-3H3,(H2,20,21)/p+1 UDECTSPTKRGECA-UHFFFAOYSA-O 50171356 6-(2,3,4-Trimethoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL191587 Adenosine receptor A1 Homo sapiens 18000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171356&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936546 104057601 CHEMBL191587 ZINC13671332 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829707 COc1cccc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C17H14N2OS/c1-20-13-4-2-3-10(8-13)11-5-6-14-12(7-11)9-15-16(14)19-17(18)21-15/h2-8H,9H2,1H3,(H2,18,19)/p+1 ZDYJZRVEOMGRAF-UHFFFAOYSA-O 50171357 6-(3-Methoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL193129 Adenosine receptor A1 Homo sapiens 19300 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171357&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936547 104057602 CHEMBL193129 ZINC13652962 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829708 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)C(F)(F)F)s1 InChI=1S/C17H11F3N2S/c18-17(19,20)12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14-15(13)22-16(21)23-14/h1-7H,8H2,(H2,21,22)/p+1 WTRFJKUROMEUAV-UHFFFAOYSA-O 50171358 6-(3-Trifluoromethyl-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL191499 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171358&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936548 104057603 CHEMBL191499 ZINC13671316 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829709 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)[N+]([O-])=O)s1 InChI=1S/C16H11N3O2S/c17-16-18-15-13-5-4-10(6-11(13)8-14(15)22-16)9-2-1-3-12(7-9)19(20)21/h1-7H,8H2,(H2,17,18)/p+1 YMPRBXKTQWXHLA-UHFFFAOYSA-O 50171359 6-(3-Nitro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL190197::ChEMBL_317944 Adenosine receptor A1 Homo sapiens 8300 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171359&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936549 104057604 CHEMBL190197 ZINC13671312 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829710 Cc1cc(Cl)cc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C17H13ClN2S/c1-9-4-11(7-13(18)5-9)10-2-3-14-12(6-10)8-15-16(14)20-17(19)21-15/h2-7H,8H2,1H3,(H2,19,20)/p+1 UNFMFGPJIOAXBQ-UHFFFAOYSA-O 50171360 6-(3,5-Dichloro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL193053 Adenosine receptor A1 Homo sapiens 10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171360&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936550 104057605 CHEMBL193053 ZINC28474247 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829711 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2F)s1 InChI=1S/C16H11FN2S/c17-13-4-2-1-3-11(13)9-5-6-12-10(7-9)8-14-15(12)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1 VHGUKXUAILYXIO-UHFFFAOYSA-O 50171361 6-(2-Fluoro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL191231 Adenosine receptor A1 Homo sapiens 13200 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171361&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936551 104057606 CHEMBL191231 ZINC13652954 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829712 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(O)c2)s1 InChI=1S/C16H12N2OS/c17-16-18-15-13-5-4-10(6-11(13)8-14(15)20-16)9-2-1-3-12(19)7-9/h1-7,19H,8H2,(H2,17,18)/p+1 OVLYVMBGSWAPOF-UHFFFAOYSA-O 50171362 6-(3-Hydroxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL372490 Adenosine receptor A1 Homo sapiens 36700 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171362&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936552 104057607 CHEMBL372490 ZINC13652959 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50830910 O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C14H18ClN5O4/c15-14-18-10(17-6-3-1-2-4-6)7-11(19-14)20(5-16-7)12-8(21)9(22)13(23)24-12/h5-6,8-9,12-13,21-23H,1-4H2,(H,17,18,19)/t8-,9+,12-,13+/m1/s1 YDNXKDCVCHJNPR-DTVLGXAZSA-N 50162482 5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CHEMBL363807 Adenosine receptor A1 Homo sapiens 0.8 ChEMBL 10.1021/jm049408n 10.7270/Q25X29PX 15743197 Cappellacci, L; Franchetti, P; Pasqualini, M; Petrelli, R; Vita, P; Lavecchia, A; Novellino, E; Costa, B; Martini, C; Klotz, KN; Grifantini, M Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50162482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50162482&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44401051 104048648 CHEMBL363807 ZINC28523338 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829713 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc3ccccc23)s1 InChI=1S/C20H14N2S/c21-20-22-19-17-9-8-13(10-14(17)11-18(19)23-20)16-7-3-5-12-4-1-2-6-15(12)16/h1-10H,11H2,(H2,21,22)/p+1 XBNNVJMPMIYIAN-UHFFFAOYSA-O 50171364 6-Naphthalen-1-yl-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL192577 Adenosine receptor A1 Homo sapiens >13000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171364&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936554 104057609 CHEMBL192577 ZINC13671340 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829714 COc1ccc(cc1OC)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C18H16N2O2S/c1-21-14-6-4-11(8-15(14)22-2)10-3-5-13-12(7-10)9-16-17(13)20-18(19)23-16/h3-8H,9H2,1-2H3,(H2,19,20)/p+1 VVHPWWQMZPMVNX-UHFFFAOYSA-O 50171363 6-(3,4-Dimethoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL191229 Adenosine receptor A1 Homo sapiens 1600 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171363&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936553 104057608 CHEMBL191229 ZINC13671326 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829715 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(F)cc2)s1 InChI=1S/C16H11FN2S/c17-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14-15(13)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1 LUKDBJQJQVJMNA-UHFFFAOYSA-O 50171367 6-(4-Fluoro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL425000 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171367&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936557 104057612 CHEMBL425000 ZINC13652956 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829716 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2)s1 InChI=1S/C16H12N2S/c17-16-18-15-13-7-6-11(10-4-2-1-3-5-10)8-12(13)9-14(15)19-16/h1-8H,9H2,(H2,17,18)/p+1 QARXUBSQXDJKLF-UHFFFAOYSA-O 50171368 6-(o-tolyl)-8H-indeno[1,2-d]thiazol-2-aminium iodide::CHEMBL193285 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171368&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936558 104057613 CHEMBL193285 ZINC13652951 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829717 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2[N+]([O-])=O)s1 InChI=1S/C16H11N3O2S/c17-16-18-15-12-6-5-9(7-10(12)8-14(15)22-16)11-3-1-2-4-13(11)19(20)21/h1-7H,8H2,(H2,17,18)/p+1 RTVVQJNVKKUYRM-UHFFFAOYSA-O 50171366 6-(2-Nitro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL193158::ChEMBL_318083 Adenosine receptor A1 Homo sapiens 8300 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171366&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936556 104057611 CHEMBL193158 ZINC13671311 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829718 COc1ccccc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C17H14N2OS/c1-20-14-5-3-2-4-12(14)10-6-7-13-11(8-10)9-15-16(13)19-17(18)21-15/h2-8H,9H2,1H3,(H2,18,19)/p+1 RFRXATWSONEAOS-UHFFFAOYSA-O 50171365 6-(2-Methoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL193128 Adenosine receptor A1 Homo sapiens 43500 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171365&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936555 104057610 CHEMBL193128 ZINC13652961 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829719 C[N+](C)(C)c1nc-2c(Cc3cc(ccc-23)-c2ccc(Oc3ccccc3)cc2)s1 InChI=1S/C25H23N2OS/c1-27(2,3)25-26-24-22-14-11-18(15-19(22)16-23(24)29-25)17-9-12-21(13-10-17)28-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3/q+1 UWMBJMJFCUKWDP-UHFFFAOYSA-N 50171369 6-(4-Phenoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL359799 Adenosine receptor A1 Homo sapiens 8800 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171369&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44398645 104057614 CHEMBL359799 ZINC28465082 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829720 Cc1ccc(cc1C)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C18H16N2S/c1-10-3-4-12(7-11(10)2)13-5-6-15-14(8-13)9-16-17(15)20-18(19)21-16/h3-8H,9H2,1-2H3,(H2,19,20)/p+1 DBNPQBAHZJBONI-UHFFFAOYSA-O 50171370 6-(3,4-Dimethyl-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL360831 Adenosine receptor A1 Homo sapiens 30100 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171370&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936559 104057615 CHEMBL360831 ZINC13671322 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829721 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2-c2cccs2)s1 InChI=1S/C20H14N2S2/c21-20-22-19-15-8-7-12(10-13(15)11-18(19)24-20)14-4-1-2-5-16(14)17-6-3-9-23-17/h1-10H,11H2,(H2,21,22)/p+1 PEROGZHSZDFOFK-UHFFFAOYSA-O 50171375 6-(2-Thiophen-2-yl-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL366204 Adenosine receptor A1 Homo sapiens 11400 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171375&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936563 104057620 CHEMBL366204 ZINC28471079 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829722 CN(C)c1ccc(cc1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C18H17N3S/c1-21(2)14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16-17(15)20-18(19)22-16/h3-9H,10H2,1-2H3,(H2,19,20)/p+1 QKYQQTDDQAXHEH-UHFFFAOYSA-O 50171371 6-(4-Dimethylamino-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL193107 Adenosine receptor A1 Homo sapiens 12500 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171371&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936560 104057616 CHEMBL193107 ZINC13671309 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829723 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(cc2)C(F)(F)F)s1 InChI=1S/C17H11F3N2S/c18-17(19,20)12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14-15(13)22-16(21)23-14/h1-7H,8H2,(H2,21,22)/p+1 RBTUDOOBKOARKF-UHFFFAOYSA-O 50171372 6-(4-Trifluoromethyl-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL189435 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171372&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936561 104057617 CHEMBL189435 ZINC13671318 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829724 Cc1ccc(C)c(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C18H16N2S/c1-10-3-4-11(2)15(7-10)12-5-6-14-13(8-12)9-16-17(14)20-18(19)21-16/h3-8H,9H2,1-2H3,(H2,19,20)/p+1 FIHNMKVFUZOQHU-UHFFFAOYSA-O 50171378 6-(2,5-Dimethyl-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL193295 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171378&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936566 104057623 CHEMBL193295 ZINC13671320 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829725 Cc1ccccc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C17H14N2S/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-15-16(14)19-17(18)20-15/h2-8H,9H2,1H3,(H2,18,19)/p+1 LYVIKHAMIQKJGY-UHFFFAOYSA-O 50171374 6-Phenyl-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL190588 Adenosine receptor A1 Homo sapiens 34400 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171374&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936562 104057619 CHEMBL190588 ZINC13652952 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829726 Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3 KKDKAWKYGCUOGR-UHFFFAOYSA-N 50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080550&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 122028 103980705 CHEMBL59532 ZINC02379515 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829727 Cc1cccc(c1)-c1ccc-2c(Cc3sc(nc-23)[N+](C)(C)C)c1 InChI=1S/C20H21N2S/c1-13-6-5-7-14(10-13)15-8-9-17-16(11-15)12-18-19(17)21-20(23-18)22(2,3)4/h5-11H,12H2,1-4H3/q+1 QXJYHHDWORJBRW-UHFFFAOYSA-N 50171373 CHEMBL190479::Trimethyl-(6-m-tolyl-8H-indeno[1,2-d]thiazol-2-yl)-ammonium; iodide Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171373&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44398929 104057618 CHEMBL190479 ZINC28468542 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829728 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc3ccccc3c2)s1 InChI=1S/C20H14N2S/c21-20-22-19-17-8-7-15(10-16(17)11-18(19)23-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H2,21,22)/p+1 UMHFANVYNAPLGI-UHFFFAOYSA-O 50171376 6-Naphthalen-2-yl-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL190909 Adenosine receptor A1 Homo sapiens >4200 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171376&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936564 104057621 CHEMBL190909 ZINC13671341 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829729 COc1ccc(c(OC)c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C18H16N2O2S/c1-21-12-4-6-13(15(9-12)22-2)10-3-5-14-11(7-10)8-16-17(14)20-18(19)23-16/h3-7,9H,8H2,1-2H3,(H2,19,20)/p+1 AQANMDGYEJNYGK-UHFFFAOYSA-O 50171377 6-(2,4-Dimethoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL192476 Adenosine receptor A1 Homo sapiens 11800 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171377&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936565 104057622 CHEMBL192476 ZINC13671328 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829730 COc1ccc(cc1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C17H14N2OS/c1-20-13-5-2-10(3-6-13)11-4-7-14-12(8-11)9-15-16(14)19-17(18)21-15/h2-8H,9H2,1H3,(H2,18,19)/p+1 BKERCHGGVRDPER-UHFFFAOYSA-O 50171379 6-(4-Methoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL188856 Adenosine receptor A1 Homo sapiens 13300 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171379&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936567 104057624 CHEMBL188856 ZINC13652963 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829731 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(Cl)c2)s1 InChI=1S/C16H11ClN2S/c17-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14-15(13)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1 PXIMXCNQTQJYQN-UHFFFAOYSA-O 50171380 6-(3-Chloro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL190526 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171380&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936568 104057625 CHEMBL190526 ZINC13652958 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829732 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2C(F)(F)F)s1 InChI=1S/C17H11F3N2S/c18-17(19,20)13-4-2-1-3-11(13)9-5-6-12-10(7-9)8-14-15(12)22-16(21)23-14/h1-7H,8H2,(H2,21,22)/p+1 LVJYNUSYSFWQLL-UHFFFAOYSA-O 50171383 6-(2-Trifluoromethyl-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171383&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44398694 104057628 ZINC13671314 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829733 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(O)cc2)s1 InChI=1S/C16H12N2OS/c17-16-18-15-13-6-3-10(7-11(13)8-14(15)20-16)9-1-4-12(19)5-2-9/h1-7,19H,8H2,(H2,17,18)/p+1 OJLZQOAEOZQYJI-UHFFFAOYSA-O 50171384 6-(4-Hydroxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL190122 Adenosine receptor A1 Homo sapiens 36700 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171384&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936571 104057629 CHEMBL190122 ZINC13652960 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829734 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2Cl)s1 InChI=1S/C16H11ClN2S/c17-13-4-2-1-3-11(13)9-5-6-12-10(7-9)8-14-15(12)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1 YRCVKVNHGKHYLJ-UHFFFAOYSA-O 50171385 6-(2-Chloro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL192606 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171385&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936572 104057630 CHEMBL192606 ZINC13652957 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829735 COc1cc2ccccc2cc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C21H16N2OS/c1-24-18-10-13-5-3-2-4-12(13)9-17(18)14-6-7-16-15(8-14)11-19-20(16)23-21(22)25-19/h2-10H,11H2,1H3,(H2,22,23)/p+1 MRQUBQSECMVJFJ-UHFFFAOYSA-O 50171386 6-(3-Methoxy-naphthalen-2-yl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL360605 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171386&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936573 104057631 CHEMBL360605 ZINC28465295 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829736 Cc1cc(C)cc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1 InChI=1S/C18H16N2S/c1-10-5-11(2)7-13(6-10)12-3-4-15-14(8-12)9-16-17(15)20-18(19)21-16/h3-8H,9H2,1-2H3,(H2,19,20)/p+1 SGDDIOOKXSUYPZ-UHFFFAOYSA-O 50171382 6-(3,5-Dimethyl-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL187350 Adenosine receptor A1 Homo sapiens >8700 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171382&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936570 104057627 CHEMBL187350 ZINC13671324 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50829737 [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(Cl)c(Cl)c2)s1 InChI=1S/C16H10Cl2N2S/c17-12-4-2-9(6-13(12)18)8-1-3-11-10(5-8)7-14-15(11)20-16(19)21-14/h1-6H,7H2,(H2,19,20)/p+1 FIPIHPFIBAXKEC-UHFFFAOYSA-O 50171381 6-(3,4-Dichloro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-ammonium; iodide::CHEMBL191218 Adenosine receptor A1 Homo sapiens 8000 ChEMBL 10.1021/jm049132j 10.7270/Q28W3F3X 16078833 Chordia, MD; Zigler, M; Murphree, LJ; Figler, H; Macdonald, TL; Olsson, RA; Linden, J University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171381&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91936569 104057626 CHEMBL191218 ZINC13671336 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50833897 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ IQVRBWUUXZMOPW-PKNBQFBNSA-N 50176050 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione::8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione::CHEMBL431770::istradefylline Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm058018d 10.7270/Q28C9X1X 16250647 Minetti, P; Tinti, MO; Carminati, P; Castorina, M; Di Cesare, MA; Di Serio, S; Gallo, G; Ghirardi, O; Giorgi, F; Giorgi, L; Piersanti, G; Bartoccini, F; Tarzia, G Universit£ degli Studi di Urbino Carlo Bo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176050&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search JQ9 8GNG 5311037 104061724 CHEMBL431770 5608 ZINC03803921 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50833898 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A1 Homo sapiens 6.5 ChEMBL 10.1021/jm058018d 10.7270/Q28C9X1X 16250647 Minetti, P; Tinti, MO; Carminati, P; Castorina, M; Di Cesare, MA; Di Serio, S; Gallo, G; Ghirardi, O; Giorgi, F; Giorgi, L; Piersanti, G; Bartoccini, F; Tarzia, G Universit£ degli Studi di Urbino Carlo Bo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50833904 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A1 Homo sapiens 308 ChEMBL 10.1021/jm058018d 10.7270/Q28C9X1X 16250647 Minetti, P; Tinti, MO; Carminati, P; Castorina, M; Di Cesare, MA; Di Serio, S; Gallo, G; Ghirardi, O; Giorgi, F; Giorgi, L; Piersanti, G; Bartoccini, F; Tarzia, G Universit£ degli Studi di Urbino Carlo Bo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50833905 O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16) HAUGRYOERYOXHX-UHFFFAOYSA-N 82038 Alloxazine::CAS_490-59-5::CHEMBL68500::NSC_99253::cid_5372720 Adenosine receptor A1 Homo sapiens >100000 ChEMBL 10.1021/jm058018d 10.7270/Q28C9X1X 16250647 Minetti, P; Tinti, MO; Carminati, P; Castorina, M; Di Cesare, MA; Di Serio, S; Gallo, G; Ghirardi, O; Giorgi, F; Giorgi, L; Piersanti, G; Bartoccini, F; Tarzia, G Universit£ degli Studi di Urbino Carlo Bo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82038&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 5372720 131342612 37327 CHEMBL68500 456 ZINC18804836 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50833917 Cc1cc2n(C)c(nc2c(N)n1)-n1nccn1 InChI=1S/C10H11N7/c1-6-5-7-8(9(11)14-6)15-10(16(7)2)17-12-3-4-13-17/h3-5H,1-2H3,(H2,11,14) HQJPRTMRYHJULG-UHFFFAOYSA-N 50176054 1,6-Dimethyl-2-[1,2,3]triazol-2-yl-1H-imidazo[4,5-c]pyridin-4-ylamine::CHEMBL197682 Adenosine receptor A1 Homo sapiens 340 ChEMBL 10.1021/jm058018d 10.7270/Q28C9X1X 16250647 Minetti, P; Tinti, MO; Carminati, P; Castorina, M; Di Cesare, MA; Di Serio, S; Gallo, G; Ghirardi, O; Giorgi, F; Giorgi, L; Piersanti, G; Bartoccini, F; Tarzia, G Universit£ degli Studi di Urbino Carlo Bo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176054&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11586663 104061728 CHEMBL197682 ZINC13674878 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50833921 CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C11H14N8/c1-3-4-7-15-9(12)8-10(16-7)18(2)11(17-8)19-13-5-6-14-19/h5-6H,3-4H2,1-2H3,(H2,12,15,16) RAVBBDYGFXMBKB-UHFFFAOYSA-N 50176051 9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine::CHEMBL198942 Adenosine receptor A1 Homo sapiens 266 ChEMBL 10.1021/jm058018d 10.7270/Q28C9X1X 16250647 Minetti, P; Tinti, MO; Carminati, P; Castorina, M; Di Cesare, MA; Di Serio, S; Gallo, G; Ghirardi, O; Giorgi, F; Giorgi, L; Piersanti, G; Bartoccini, F; Tarzia, G Universit£ degli Studi di Urbino Carlo Bo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176051&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11608581 104061725 CHEMBL198942 ZINC13674874 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50833928 CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C13H18N8/c1-3-4-5-6-9-17-11(14)10-12(18-9)20(2)13(19-10)21-15-7-8-16-21/h7-8H,3-6H2,1-2H3,(H2,14,17,18) PYUBHJHQYILWFE-UHFFFAOYSA-N 50176055 9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine::CHEMBL196258 Adenosine receptor A1 Homo sapiens 26 ChEMBL 10.1021/jm058018d 10.7270/Q28C9X1X 16250647 Minetti, P; Tinti, MO; Carminati, P; Castorina, M; Di Cesare, MA; Di Serio, S; Gallo, G; Ghirardi, O; Giorgi, F; Giorgi, L; Piersanti, G; Bartoccini, F; Tarzia, G Universit£ degli Studi di Urbino Carlo Bo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176055&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 9814428 104061729 CHEMBL196258 ZINC01554292 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50833939 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22?/m0/s1 PAOANWZGLPPROA-OFRRTHGGSA-N 50370687 CHEMBL1204225 Adenosine receptor A1 Homo sapiens >10000 ChEMBL 10.1021/jm058018d 10.7270/Q28C9X1X 16250647 Minetti, P; Tinti, MO; Carminati, P; Castorina, M; Di Cesare, MA; Di Serio, S; Gallo, G; Ghirardi, O; Giorgi, F; Giorgi, L; Piersanti, G; Bartoccini, F; Tarzia, G Universit£ degli Studi di Urbino Carlo Bo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370687&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 104924 160849789 CHEMBL1204225 ZINC29563822 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50833942 Cn1c(nc2c(N)nc(CCc3ccccc3)nc12)-n1nccn1 InChI=1S/C16H16N8/c1-23-15-13(22-16(23)24-18-9-10-19-24)14(17)20-12(21-15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20,21) ABAHFXBQXJPKNX-UHFFFAOYSA-N 50176059 9-Methyl-2-phenethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine::CHEMBL196259 Adenosine receptor A1 Homo sapiens 80 ChEMBL 10.1021/jm058018d 10.7270/Q28C9X1X 16250647 Minetti, P; Tinti, MO; Carminati, P; Castorina, M; Di Cesare, MA; Di Serio, S; Gallo, G; Ghirardi, O; Giorgi, F; Giorgi, L; Piersanti, G; Bartoccini, F; Tarzia, G Universit£ degli Studi di Urbino Carlo Bo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176059&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11702501 104061733 CHEMBL196259 ZINC01492104 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50818618 CCCc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O InChI=1S/C18H24ClN5O3/c1-3-6-11-16(26)15-17(23(2)18(11)27)21-13(20-15)7-4-5-10-24-14(25)9-8-12(19)22-24/h26H,3-10H2,1-2H3,(H,20,21) SWRAISUSKJJFEA-UHFFFAOYSA-N 50146769 2-[4-(3-Chloro-6-oxo-5,6-dihydro-4H-pyridazin-1-yl)-butyl]-4-methyl-6-propyl-1,4-dihydro-imidazo[4,5-b]pyridine-5,7-dione::CHEMBL94548 Adenosine receptor A1 Homo sapiens 190 ChEMBL 10.1021/jm0311240 10.7270/Q22J6CMN 15139758 Fontaine, F; Pastor, M; Sanz, F Universitat Pompeu Fabra http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146769&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91932928 104035358 CHEMBL94548 ZINC26673548 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50818622 Cc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O InChI=1S/C16H20ClN5O3/c1-9-14(24)13-15(21(2)16(9)25)19-11(18-13)5-3-4-8-22-12(23)7-6-10(17)20-22/h24H,3-8H2,1-2H3,(H,18,19) RXBRQVKRIUUZHQ-UHFFFAOYSA-N 50146772 2-[4-(3-Chloro-6-oxo-5,6-dihydro-4H-pyridazin-1-yl)-butyl]-4,6-dimethyl-1,4-dihydro-imidazo[4,5-b]pyridine-5,7-dione::CHEMBL330532 Adenosine receptor A1 Homo sapiens 370 ChEMBL 10.1021/jm0311240 10.7270/Q22J6CMN 15139758 Fontaine, F; Pastor, M; Sanz, F Universitat Pompeu Fabra http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146772&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91932929 104035361 CHEMBL330532 ZINC26673551 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50818625 CCCc1c(O)c2[nH]c(CN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O InChI=1S/C21H23N5O3/c1-3-7-14-19(28)18-20(25(2)21(14)29)23-16(22-18)12-26-17(27)11-10-15(24-26)13-8-5-4-6-9-13/h4-6,8-9,28H,3,7,10-12H2,1-2H3,(H,22,23) XDNTUDZGVBUSKA-UHFFFAOYSA-N 50146774 4-Methyl-2-(6-oxo-3-phenyl-5,6-dihydro-4H-pyridazin-1-ylmethyl)-6-propyl-1,4-dihydro-imidazo[4,5-b]pyridine-5,7-dione::CHEMBL94419 Adenosine receptor A1 Homo sapiens 2270 ChEMBL 10.1021/jm0311240 10.7270/Q22J6CMN 15139758 Fontaine, F; Pastor, M; Sanz, F Universitat Pompeu Fabra http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146774&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91932930 104035363 CHEMBL94419 ZINC26673461 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50818633 Cc1c(O)c2[nH]c(CCN3N=C(CCC3=O)c3ccccc3)nc2n(C)c1=O InChI=1S/C20H21N5O3/c1-12-18(27)17-19(24(2)20(12)28)22-15(21-17)10-11-25-16(26)9-8-14(23-25)13-6-4-3-5-7-13/h3-7,27H,8-11H2,1-2H3,(H,21,22) GQHCAGZPEFZVEV-UHFFFAOYSA-N 50146781 4,6-Dimethyl-2-[2-(6-oxo-3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-ethyl]-1,4-dihydro-imidazo[4,5-b]pyridine-5,7-dione::CHEMBL328993 Adenosine receptor A1 Homo sapiens 6100 ChEMBL 10.1021/jm0311240 10.7270/Q22J6CMN 15139758 Fontaine, F; Pastor, M; Sanz, F Universitat Pompeu Fabra http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146781&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91932932 104035370 CHEMBL328993 ZINC26716907 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50818634 Cc1c(O)c2[nH]c(CCCN3N=CCCC3=O)nc2n(C)c1=O InChI=1S/C15H19N5O3/c1-9-13(22)12-14(19(2)15(9)23)18-10(17-12)5-4-8-20-11(21)6-3-7-16-20/h7,22H,3-6,8H2,1-2H3,(H,17,18) SRCRMMHSAHHZIT-UHFFFAOYSA-N 50146780 4,6-Dimethyl-2-[3-(6-oxo-5,6-dihydro-4H-pyridazin-1-yl)-propyl]-1,4-dihydro-imidazo[4,5-b]pyridine-5,7-dione::CHEMBL94344 Adenosine receptor A1 Homo sapiens 12700 ChEMBL 10.1021/jm0311240 10.7270/Q22J6CMN 15139758 Fontaine, F; Pastor, M; Sanz, F Universitat Pompeu Fabra http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146780&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 91932931 104035369 CHEMBL94344 ZINC26672661 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50820061 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(N)n(C)n1 InChI=1S/C15H21N7O2/c1-4-6-21-13-11(14(23)22(7-5-2)15(21)24)17-12(18-13)9-8-10(16)20(3)19-9/h8H,4-7,16H2,1-3H3,(H,17,18) WBHQSNZTNHUEAG-UHFFFAOYSA-N 50140945 8-(5-Amino-1-methyl-1H-pyrazol-3-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL33709 Adenosine receptor A1 Homo sapiens 140 ChEMBL 10.1021/jm0309654 10.7270/Q22B8ZSM 14998332 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Romagnoli, R; Fruttarolo, F; Zaid, NA; Moorman, AR; Varani, K; Gessi, S; Merighi, S; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140945&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10308699 104030459 CHEMBL33709 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50820063 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)nn1C InChI=1S/C30H32N8O6/c1-4-14-36-28-26(29(40)37(15-5-2)30(36)41)32-27(33-28)23-17-24(34-35(23)3)31-25(39)16-19-8-12-22(13-9-19)44-18-20-6-10-21(11-7-20)38(42)43/h6-13,17H,4-5,14-16,18H2,1-3H3,(H,32,33)(H,31,34,39) DRTYPFFXHWFIAR-UHFFFAOYSA-N 50140940 CHEMBL34097::N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]-2-[4-(4-nitro-benzyloxy)-phenyl]-acetamide Adenosine receptor A1 Homo sapiens 163 ChEMBL 10.1021/jm0309654 10.7270/Q22B8ZSM 14998332 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Romagnoli, R; Fruttarolo, F; Zaid, NA; Moorman, AR; Varani, K; Gessi, S; Merighi, S; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140940&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10196857 104030454 CHEMBL34097 ZINC29225118 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50820065 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28) FCMUQGWJTIVYIU-UHFFFAOYSA-N 50140942 CHEMBL33491::N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetamide Adenosine receptor A1 Homo sapiens 700 ChEMBL 10.1021/jm0309654 10.7270/Q22B8ZSM 14998332 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Romagnoli, R; Fruttarolo, F; Zaid, NA; Moorman, AR; Varani, K; Gessi, S; Merighi, S; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140942&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10217693 104030456 CHEMBL33491 383 ZINC13559754 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50820066 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3C(F)(F)F)cc2)nn1C InChI=1S/C31H32F3N7O4/c1-4-14-40-28-26(29(43)41(15-5-2)30(40)44)36-27(37-28)23-17-24(38-39(23)3)35-25(42)16-19-10-12-21(13-11-19)45-18-20-8-6-7-9-22(20)31(32,33)34/h6-13,17H,4-5,14-16,18H2,1-3H3,(H,36,37)(H,35,38,42) UGLKCRFKQYPIAS-UHFFFAOYSA-N 50140951 CHEMBL32229::N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]-2-[4-(2-trifluoromethyl-benzyloxy)-phenyl]-acetamide Adenosine receptor A1 Homo sapiens 56 ChEMBL 10.1021/jm0309654 10.7270/Q22B8ZSM 14998332 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Romagnoli, R; Fruttarolo, F; Zaid, NA; Moorman, AR; Varani, K; Gessi, S; Merighi, S; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140951&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10153359 104030464 CHEMBL32229 ZINC29226449 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50820069 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(O)=O)nn1C InChI=1S/C24H27N7O6/c1-4-10-30-21-19(22(33)31(11-5-2)24(30)36)26-20(27-21)16-12-18(28-29(16)3)37-13-17(32)25-15-8-6-14(7-9-15)23(34)35/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)(H,34,35) JTHIYDNBNYRAEL-UHFFFAOYSA-N 50140943 4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetylamino}-benzoic acid::CHEMBL431703 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm0309654 10.7270/Q22B8ZSM 14998332 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Romagnoli, R; Fruttarolo, F; Zaid, NA; Moorman, AR; Varani, K; Gessi, S; Merighi, S; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140943&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10152438 104030457 CHEMBL431703 441 ZINC13559753 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50820072 CCCn1c2nc(-c3ccc(N)cc3)n(C)c2c(=O)n(CCC)c1=O InChI=1S/C18H23N5O2/c1-4-10-22-16-14(17(24)23(11-5-2)18(22)25)21(3)15(20-16)12-6-8-13(19)9-7-12/h6-9H,4-5,10-11,19H2,1-3H3 HKELGASCWOXSKD-UHFFFAOYSA-N 50140953 8-(4-Amino-phenyl)-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL32814 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm0309654 10.7270/Q22B8ZSM 14998332 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Romagnoli, R; Fruttarolo, F; Zaid, NA; Moorman, AR; Varani, K; Gessi, S; Merighi, S; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140953&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 11313850 104030466 CHEMBL32814 ZINC13559714 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50820079 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)nn1C InChI=1S/C27H33FN8O4/c1-4-10-35-25-23(26(38)36(11-5-2)27(35)39)29-24(30-25)20-16-21(31-32(20)3)40-17-22(37)34-14-12-33(13-15-34)19-8-6-18(28)7-9-19/h6-9,16H,4-5,10-15,17H2,1-3H3,(H,29,30) DLRFLOGSCQCFET-UHFFFAOYSA-N 50140957 8-(5-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethoxy}-2-methyl-2H-pyrazol-3-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL33930 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm0309654 10.7270/Q22B8ZSM 14998332 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Romagnoli, R; Fruttarolo, F; Zaid, NA; Moorman, AR; Varani, K; Gessi, S; Merighi, S; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140957&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 10218362 104030470 CHEMBL33930 ZINC29224581 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50820081 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cn2)nn1C InChI=1S/C23H28N8O4/c1-5-9-30-21-19(22(33)31(10-6-2)23(30)34)26-20(27-21)15-11-18(28-29(15)4)35-13-17(32)25-16-8-7-14(3)12-24-16/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,26,27)(H,24,25,32) PAVNNTWFJALROS-UHFFFAOYSA-N 50140948 2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-N-(3-methyl-1,4-dihydro-pyridin-4-yl)-acetamide::CHEMBL433235 Adenosine receptor A1 Homo sapiens >1000 ChEMBL 10.1021/jm0309654 10.7270/Q22B8ZSM 14998332 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Romagnoli, R; Fruttarolo, F; Zaid, NA; Moorman, AR; Varani, K; Gessi, S; Merighi, S; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140948&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 44281570 104030461 CHEMBL433235 ZINC13559748 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827290 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A1 Homo sapiens 54 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827294 CCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 InChI=1S/C22H28N8O7S/c1-3-9-27-38(35,36)13-7-5-12(6-8-13)28-22(34)29-18-14-19(25-10-24-18)30(11-26-14)21-16(32)15(31)17(37-21)20(33)23-4-2/h5-8,10-11,15-17,21,27,31-32H,3-4,9H2,1-2H3,(H,23,33)(H2,24,25,28,29,34)/t15-,16+,17-,21?/m0/s1 SDQKYEZFWVBNCI-VDXVPGQCSA-N 50370533 CHEMBL611099 Adenosine receptor A1 Homo sapiens 290 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370533&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877311 160849635 CHEMBL611099 ZINC49785959 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827295 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC3CCCCC3)ncnc12 InChI=1S/C25H32N8O7S/c1-2-26-23(36)20-18(34)19(35)24(40-20)33-13-29-17-21(27-12-28-22(17)33)31-25(37)30-14-8-10-16(11-9-14)41(38,39)32-15-6-4-3-5-7-15/h8-13,15,18-20,24,32,34-35H,2-7H2,1H3,(H,26,36)(H2,27,28,30,31,37)/t18-,19+,20-,24?/m0/s1 DGSYKWLOYSOBQK-PHTWQSKTSA-N 50370525 CHEMBL610584 Adenosine receptor A1 Homo sapiens 350 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370525&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877298 160849627 CHEMBL610584 ZINC49774590 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827300 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A1 Homo sapiens 18.2 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827302 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCC)ncnc12 InChI=1S/C21H26N8O7S/c1-3-22-19(32)16-14(30)15(31)20(36-16)29-10-25-13-17(23-9-24-18(13)29)28-21(33)27-11-5-7-12(8-6-11)37(34,35)26-4-2/h5-10,14-16,20,26,30-31H,3-4H2,1-2H3,(H,22,32)(H2,23,24,27,28,33)/t14-,15+,16-,20?/m0/s1 LAJROYQOKUALFD-BITNSZHFSA-N 50370524 CHEMBL610837 Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370524&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877284 160849626 CHEMBL610837 ZINC49771723 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827305 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)ncnc12 InChI=1S/C24H30N8O7S/c1-2-25-22(35)19-17(33)18(34)23(39-19)32-13-28-16-20(26-12-27-21(16)32)30-24(36)29-14-6-8-15(9-7-14)40(37,38)31-10-4-3-5-11-31/h6-9,12-13,17-19,23,33-34H,2-5,10-11H2,1H3,(H,25,35)(H2,26,27,29,30,36)/t17-,18+,19-,23?/m0/s1 UWISFKOCNMHOGN-YSPQCQSRSA-N 50370537 CHEMBL610814 Adenosine receptor A1 Homo sapiens 750 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370537&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877219 160849639 CHEMBL610814 ZINC49771924 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827308 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccc(OC)cc3)ncnc12 InChI=1S/C26H28N8O8S/c1-3-27-24(37)21-19(35)20(36)25(42-21)34-13-30-18-22(28-12-29-23(18)34)32-26(38)31-14-6-10-17(11-7-14)43(39,40)33-15-4-8-16(41-2)9-5-15/h4-13,19-21,25,33,35-36H,3H2,1-2H3,(H,27,37)(H2,28,29,31,32,38)/t19-,20+,21-,25?/m0/s1 FNEKIXGYOZPREV-UZNLOIBPSA-N 50370527 CHEMBL611090 Adenosine receptor A1 Homo sapiens 280 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370527&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877270 160849629 CHEMBL611090 ZINC49792775 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827313 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCC3)ncnc12 InChI=1S/C23H28N8O7S/c1-2-24-21(34)18-16(32)17(33)22(38-18)31-12-27-15-19(25-11-26-20(15)31)29-23(35)28-13-5-7-14(8-6-13)39(36,37)30-9-3-4-10-30/h5-8,11-12,16-18,22,32-33H,2-4,9-10H2,1H3,(H,24,34)(H2,25,26,28,29,35)/t16-,17+,18-,22?/m0/s1 KHYJLPTZAVFTQO-OFRRTHGGSA-N 50370541 CHEMBL610847 Adenosine receptor A1 Homo sapiens 700 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370541&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877333 160849643 CHEMBL610847 ZINC49792663 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827314 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ncnc12 InChI=1S/C29H36N8O7S/c1-2-30-26(40)23-21(38)22(39)27(44-23)37-14-33-20-24(31-13-32-25(20)37)35-28(41)34-18-3-5-19(6-4-18)45(42,43)36-29-10-15-7-16(11-29)9-17(8-15)12-29/h3-6,13-17,21-23,27,36,38-39H,2,7-12H2,1H3,(H,30,40)(H2,31,32,34,35,41)/t15?,16?,17?,21-,22+,23-,27?,29?/m0/s1 OUMPAQRQUCOGHW-UVJUEXBPSA-N 50370540 CHEMBL610829 Adenosine receptor A1 Homo sapiens 240 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370540&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877262 160849642 CHEMBL610829 ZINC49792863 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827320 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC(C)(C)C)ncnc12 InChI=1S/C23H30N8O7S/c1-5-24-20(34)17-15(32)16(33)21(38-17)31-11-27-14-18(25-10-26-19(14)31)29-22(35)28-12-6-8-13(9-7-12)39(36,37)30-23(2,3)4/h6-11,15-17,21,30,32-33H,5H2,1-4H3,(H,24,34)(H2,25,26,28,29,35)/t15-,16+,17-,21?/m0/s1 NMRKWFWLSWYRCH-VDXVPGQCSA-N 50370542 CHEMBL610589 Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370542&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877313 160849644 CHEMBL610589 ZINC49785066 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827326 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC3CCCC3)ncnc12 InChI=1S/C24H30N8O7S/c1-2-25-22(35)19-17(33)18(34)23(39-19)32-12-28-16-20(26-11-27-21(16)32)30-24(36)29-13-7-9-15(10-8-13)40(37,38)31-14-5-3-4-6-14/h7-12,14,17-19,23,31,33-34H,2-6H2,1H3,(H,25,35)(H2,26,27,29,30,36)/t17-,18+,19-,23?/m0/s1 LVISRGLHFQGQFH-YSPQCQSRSA-N 50370538 CHEMBL610579 Adenosine receptor A1 Homo sapiens 415 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370538&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877277 160849640 CHEMBL610579 ZINC49785625 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD 5UEN,6D9H,7LD3,7LD4 Adenosine receptor A1 AA1R_HUMAN P30542 A6NFY5 A6NGP4 A8K1L3 B3KXQ4 D2CGD0 Q6FHK3 Q8TAM8 50827329 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CC=CC3)ncnc12 InChI=1S/C23H26N8O7S/c1-2-24-21(34)18-16(32)17(33)22(38-18)31-12-27-15-19(25-11-26-20(15)31)29-23(35)28-13-5-7-14(8-6-13)39(36,37)30-9-3-4-10-30/h3-8,11-12,16-18,22,32-33H,2,9-10H2,1H3,(H,24,34)(H2,25,26,28,29,35)/t16-,17+,18-,22?/m0/s1 ZEMSZLYGSLKYJV-OFRRTHGGSA-N 50370528 CHEMBL610846 Adenosine receptor A1 Homo sapiens 250 ChEMBL 10.1021/jm0408161 10.7270/Q23F4QDM 15481989 Baraldi, PG; Fruttarolo, F; Tabrizi, MA; Romagnoli, R; Preti, D; Bovero, A; Pineda de Las Infantas, MJ; Moorman, A; Varani, K; Borea, PA Universit£ di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2129&target=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370528&enzyme=Adenosine+receptor+A1&column=ki&startPg=0&Increment=50&submit=Search 46877321 160849630 CHEMBL610846 ZINC49792555 1 MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTP