Compile Data Set for Download or QSAR

Found 1084 hits of ic50 for UniProtKB: P29275   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM474223 (2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...) Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...				US Patent US10858365 (2020)
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50545314 (CHEMBL4643397) Show SMILES Nc1nc(NCCN2CCN(CC2)c2ccc(cc2)S(N)(=O)=O)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C21H24N8O3S2/c22-18-17-20(33-19(25-17)16-2-1-13-32-16)27-21(26-18)24-7-8-28-9-11-29(12-10-28)14-3-5-15(6-4-14)34(23,30)31/h1-6,13H,7-12H2,(H2,23,30,31)(H3,22,24,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inverse agonist activity at human A2B receptor expressed in CHO cells assessed as reduction in cAMP level				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM474230 (5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...) Show SMILES CCn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19F2N7O/c1-2-32-13-15(7-10-20(32)34)21-22(14-5-8-16(25)9-6-14)30-24(27)33-23(21)29-19(31-33)12-18-17(26)4-3-11-28-18/h3-11,13H,2,12H2,1H3,(H2,27,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...				US Patent US10858365 (2020)
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268232 (8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.534	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of PSB-12105 from recombinant human adenosine A2B receptor expressed in CHO cell membranes after 60 mins by flow cytometric method				J Med Chem 61: 4301-4316 (2018) Article DOI: 10.1021/acs.jmedchem.7b01627 BindingDB Entry DOI: 10.7270/Q23R0WG5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268232 (8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.739	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of PSB-12105 from recombinant human adenosine A2B receptor expressed in CHO cell membranes preincubated for 30 mins followed by PSB-1210...				J Med Chem 61: 4301-4316 (2018) Article DOI: 10.1021/acs.jmedchem.7b01627 BindingDB Entry DOI: 10.7270/Q23R0WG5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50186980 (6-(4-{[4-(4-bromobenzyl)piperazin-1-yl]sulfonyl}ph...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 Show InChI 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3642-5 (2006) Article DOI: 10.1016/j.bmcl.2006.04.074 BindingDB Entry DOI: 10.7270/Q28P603M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50455523 (CHEMBL4215606) Show SMILES CCCN1C(=O)N=C2N=C(N=C2C1=O)c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C25H25ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of PSB-12105 from recombinant human adenosine A2B receptor expressed in CHO cell membranes preincubated for 30 mins followed by PSB-1210...				J Med Chem 61: 4301-4316 (2018) Article DOI: 10.1021/acs.jmedchem.7b01627 BindingDB Entry DOI: 10.7270/Q23R0WG5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268232 (8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptors A2b (Homo sapiens (Human))	BDBM479372 (3-amino-N-(2,6-difluorobenzyl)-6-(1- methyl-6-oxo-...) Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2c(F)cccc2F)c(N)nc1-c1ncco1 Show InChI InChI=1S/C21H16F2N6O3/c1-29-10-11(5-6-15(29)30)16-17(21-25-7-8-32-21)28-19(24)18(27-16)20(31)26-9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,28)(H,26,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...				US Patent US10898481 (2021)
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50083922 (3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...) Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1 Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310923 (CHEMBL1077943 | US9120807, 6 | {6-Methylamino-2-[(...) Show SMILES CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd US Patent					Assay Description The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...				US Patent US9120807 (2015) BindingDB Entry DOI: 10.7270/Q2NG4PDH
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268163 (1-Propyl-8-(4-(4-(4-trifluoromethylbenzyl)piperazi...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-11-35-24(36)21-23(32-25(35)37)31-22(30-21)18-5-9-20(10-6-18)40(38,39)34-14-12-33(13-15-34)16-17-3-7-19(8-4-17)26(27,28)29/h3-10H,2,11-16H2,1H3,(H,30,31)(H,32,37)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268110 (8-(4-(4-(3-Chlorobenzyl)piperazine-1-sulfonyl)phen...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 Show InChI InChI=1S/C25H27ClN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50383006 (CHEMBL2030704) Show SMILES Clc1ccc(cc1)-n1c2ccccc2n2c1nnc(-c1ccco1)c2=O Show InChI InChI=1S/C19H11ClN4O2/c20-12-7-9-13(10-8-12)23-14-4-1-2-5-15(14)24-18(25)17(21-22-19(23)24)16-6-3-11-26-16/h1-11H	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268164 (1-Ethyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazin...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C25H25F3N6O4S/c1-2-34-23(35)20-22(31-24(34)36)30-21(29-20)17-6-8-19(9-7-17)39(37,38)33-12-10-32(11-13-33)15-16-4-3-5-18(14-16)25(26,27)28/h3-9,14H,2,10-13,15H2,1H3,(H,29,30)(H,31,36)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM474221 (8-(2,6-dimethylpyridin-4-yl)-7-(4-fluoropheny1)- 2...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C23H17F2N7O/c1-31-12-14(6-9-19(31)33)20-21(13-4-7-15(24)8-5-13)29-23(26)32-22(20)28-18(30-32)11-17-16(25)3-2-10-27-17/h2-10,12H,11H2,1H3,(H2,26,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...				US Patent US10858365 (2020)
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50531447 (CHEMBL4569909) Show SMILES COCCn1c2sc(Cc3nc[nH]c3C)c(C)c2c(=O)n(CCc2ccccc2)c1=O Show InChI InChI=1S/C23H26N4O3S/c1-15-19(13-18-16(2)24-14-25-18)31-22-20(15)21(28)26(23(29)27(22)11-12-30-3)10-9-17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3,(H,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50383007 (CHEMBL2030703) Show SMILES Clc1ccc(cc1)-n1c2ccccc2n2c1nnc(-c1ccccc1)c2=O Show InChI InChI=1S/C21H13ClN4O/c22-15-10-12-16(13-11-15)25-17-8-4-5-9-18(17)26-20(27)19(23-24-21(25)26)14-6-2-1-3-7-14/h1-13H	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50383005 (CHEMBL2030705) Show SMILES O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccccc1 Show InChI InChI=1S/C23H18N4O/c28-22-21(18-11-5-2-6-12-18)24-25-23-26(16-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)27(22)23/h1-14H,15-16H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM474233 (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H21F2N7O/c1-14(2)33-13-16(7-10-21(33)35)22-23(15-5-8-17(26)9-6-15)31-25(28)34-24(22)30-20(32-34)12-19-18(27)4-3-11-29-19/h3-11,13-14H,12H2,1-2H3,(H2,28,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...				US Patent US10858365 (2020)
					More data for this Ligand-Target Pair
Adenosine receptors A2b (Homo sapiens (Human))	BDBM479507 (3-amino-6-(1-methyl-6-oxo-1,6- dihydropyridin-3-yl...) Show SMILES CNc1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(nc2N)-c2ncco2)n1 Show InChI InChI=1S/C21H20N8O3/c1-23-14-5-3-4-13(26-14)10-25-20(31)18-19(22)28-17(21-24-8-9-32-21)16(27-18)12-6-7-15(30)29(2)11-12/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,23,26)(H,25,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...				US Patent US10898481 (2021)
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50383004 (CHEMBL2030707) Show SMILES Clc1ccc2n(-c3ccccc3)c3nnc(-c4ccccc4)c(=O)n3c2c1 Show InChI InChI=1S/C21H13ClN4O/c22-15-11-12-17-18(13-15)26-20(27)19(14-7-3-1-4-8-14)23-24-21(26)25(17)16-9-5-2-6-10-16/h1-13H	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268150 (8-(4-(4-(3-Fluorobenzyl)piperazine-1-sulfonyl)phen...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C25H27FN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310923 (CHEMBL1077943 | US9120807, 6 | {6-Methylamino-2-[(...) Show SMILES CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 19: 5945-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.040 BindingDB Entry DOI: 10.7270/Q2W09611
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268165 (1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.56	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268129 (8-(4-(4-(4-chlorobenzyl)piperazin-1-ylsulfonyl)phe...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of PSB-12105 from recombinant human adenosine A2B receptor expressed in CHO cell membranes preincubated for 30 mins followed by PSB-1210...				J Med Chem 61: 4301-4316 (2018) Article DOI: 10.1021/acs.jmedchem.7b01627 BindingDB Entry DOI: 10.7270/Q23R0WG5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50186973 (6-(4-(4-((5-chlorothiophen-2-yl)methyl)piperazin-1...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Show InChI 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3642-5 (2006) Article DOI: 10.1016/j.bmcl.2006.04.074 BindingDB Entry DOI: 10.7270/Q28P603M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50449637 (CHEMBL4162638) Show SMILES Nc1nc(NCCc2cccnc2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H20N2O2/c20-13-3-4-14-15(9-18-16(14)8-13)17(21)7-10-5-11-1-2-12(6-10)19-11/h3-4,8-12,18-20H,1-2,5-7H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM474223 (2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...) Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020)
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268108 (8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.49	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM474284 (7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...) Show SMILES Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H18F2N8/c1-34-13-30-18-9-6-15(11-20(18)34)22-23(14-4-7-16(26)8-5-14)32-25(28)35-24(22)31-21(33-35)12-19-17(27)3-2-10-29-19/h2-11,13H,12H2,1H3,(H2,28,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	4.69	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020)
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM474287 (2-((3-(difluoromethoxy)pyridin-2-yl)methyl)-7- (4-...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12 Show InChI InChI=1S/C24H16F3N9O/c25-15-6-3-13(4-7-15)21-20(14-5-8-19-33-30-12-35(19)11-14)22-31-18(34-36(22)24(28)32-21)10-16-17(37-23(26)27)2-1-9-29-16/h1-9,11-12,23H,10H2,(H2,28,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020)
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50545312 (CHEMBL4632532) Show SMILES Nc1nc(NCCc2ccc(cc2)S(N)(=O)=O)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H16N6O3S2/c18-14-13-16(27-15(21-13)12-2-1-9-26-12)23-17(22-14)20-8-7-10-3-5-11(6-4-10)28(19,24)25/h1-6,9H,7-8H2,(H2,19,24,25)(H3,18,20,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inverse agonist activity at human A2B receptor expressed in CHO cells assessed as reduction in cAMP level				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268182 (1-Ethyl-8-(4-(4-(4-methoxybenzyl)piperazine-1-sulf...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1 Show InChI InChI=1S/C25H28N6O5S/c1-3-31-24(32)21-23(28-25(31)33)27-22(26-21)18-6-10-20(11-7-18)37(34,35)30-14-12-29(13-15-30)16-17-4-8-19(36-2)9-5-17/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.26	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268210 (8-(4-(4-Benzo[1,3]dioxol-5-ylmethylpiperazine-1-su...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C25H26N6O6S/c1-2-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-6-18(7-5-17)38(34,35)30-11-9-29(10-12-30)14-16-3-8-19-20(13-16)37-15-36-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,26,27)(H,28,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.34	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50383010 (CHEMBL2030706) Show SMILES O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1 Show InChI InChI=1S/C21H16N4O2/c26-20-19(18-11-6-14-27-18)22-23-21-24(13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25(20)21/h1-11,14H,12-13H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50321522 (CHEMBL1171164 | N-(7-(N-ethylacetamido)-4-methoxyb...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production				Bioorg Med Chem Lett 20: 4140-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.056 BindingDB Entry DOI: 10.7270/Q21Z45DJ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50321522 (CHEMBL1171164 | N-(7-(N-ethylacetamido)-4-methoxyb...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins				Bioorg Med Chem Lett 21: 1933-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50186991 (1,3-dimethyl-6-(4-(4-phenylpiperazin-1-ylsulfonyl)...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C24H25N5O4S/c1-26-21-16-20(25-22(21)23(30)27(2)24(26)31)17-8-10-19(11-9-17)34(32,33)29-14-12-28(13-15-29)18-6-4-3-5-7-18/h3-11,16,25H,12-15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3642-5 (2006) Article DOI: 10.1016/j.bmcl.2006.04.074 BindingDB Entry DOI: 10.7270/Q28P603M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50186979 (4-((4-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetr...) Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C#N)CC1 Show InChI 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3642-5 (2006) Article DOI: 10.1016/j.bmcl.2006.04.074 BindingDB Entry DOI: 10.7270/Q28P603M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50365309 (CHEMBL1955915) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Cl)cc3[nH]2)no1 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...				J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310925 (CHEMBL1081160 | US9120807, 7 | {6-dimethylamino-2-...) Show SMILES CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd US Patent					Assay Description The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...				US Patent US9120807 (2015) BindingDB Entry DOI: 10.7270/Q2NG4PDH
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310924 (CHEMBL1080421 | US9120807, 8 | {6-Ethylamino-2-[(p...) Show SMILES CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd US Patent					Assay Description The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...				US Patent US9120807 (2015) BindingDB Entry DOI: 10.7270/Q2NG4PDH
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50321519 (CHEMBL1170519 | N-(7-(N-ethylacetamido)-4-methoxyb...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12 Show InChI InChI=1S/C17H18N4O3S/c1-4-21(10(2)22)12-5-6-13(24-3)14-15(12)25-17(19-14)20-16(23)11-7-8-18-9-11/h5-9,18H,4H2,1-3H3,(H,19,20,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production				Bioorg Med Chem Lett 20: 4140-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.056 BindingDB Entry DOI: 10.7270/Q21Z45DJ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50186992 (6-(4-(4-(2,4-difluorobenzyl)piperazin-1-ylsulfonyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1 Show InChI 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3642-5 (2006) Article DOI: 10.1016/j.bmcl.2006.04.074 BindingDB Entry DOI: 10.7270/Q28P603M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50186977 (6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3642-5 (2006) Article DOI: 10.1016/j.bmcl.2006.04.074 BindingDB Entry DOI: 10.7270/Q28P603M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50310922 (CHEMBL1080241 | US9120807, 9 | {6-Amino-2-[(pyridi...) Show SMILES Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd US Patent					Assay Description The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...				US Patent US9120807 (2015) BindingDB Entry DOI: 10.7270/Q2NG4PDH
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50365313 (CHEMBL1955919) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1 Show InChI 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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...				J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50341192 (CHEMBL1760889 | trans-N-((1R,3R)-3-(7-(N-ethylacet...) Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 Show InChI 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins				Bioorg Med Chem Lett 21: 1933-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD
					More data for this Ligand-Target Pair

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