Compile Data Set for Download or QSAR

Found 10382 hits Enz. Inhib. hit(s) with Target = 'Adenosine A2a receptor'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493145 (CHEMBL2419149) Show SMILES Brc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10BrN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493144 (CHEMBL2419144) Show SMILES Fc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10FN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315548 (8-(2-Thioxo-7(3-m-iodophenyl)-2-(2-furyl)thiazolo[...) Show SMILES Ic1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8IN5OS2/c17-9-3-1-4-10(7-9)22-14-12(25-16(22)24)15-19-13(11-5-2-6-23-11)20-21(15)8-18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.00820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493151 (CHEMBL2419139) Show SMILES CCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N Show InChI InChI=1S/C13H10BrN3S2/c1-2-17-12(11(7-15)19-13(17)18)16-8-9-3-5-10(14)6-4-9/h3-6,8H,2H2,1H3/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315541 (8-(2-Thioxo-7(3-allyl)-2-(2-furyl)thiazole[4,3-e]1...) Show SMILES C=CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C13H9N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h2-4,6-7H,1,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493157 (CHEMBL2419146) Show SMILES CCCCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N Show InChI InChI=1S/C15H14FN3S2/c1-2-3-8-19-14(13(9-17)21-15(19)20)18-10-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8H2,1H3/b18-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493154 (CHEMBL2419147) Show SMILES CCCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N Show InChI InChI=1S/C14H12FN3S2/c1-2-7-18-13(12(8-16)20-14(18)19)17-9-10-3-5-11(15)6-4-10/h3-6,9H,2,7H2,1H3/b17-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085666 ((2S,3S,4R,5R)-5-{6-(2,2-Diphenyl-ethylamino)-2-[2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12 Show InChI InChI=1S/C31H35N9O4/c1-2-33-29(43)26-24(41)25(42)30(44-26)40-18-37-23-27(38-31(39-28(23)40)34-14-13-21-15-32-17-36-21)35-16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,17-18,22,24-26,30,41-42H,2,13-14,16H2,1H3,(H,32,36)(H,33,43)(H2,34,35,38,39)/t24-,25+,26-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315545 (8-(2-Thioxo-7(3-m-chlorophenyl)-2-(2-furyl)thiazol...) Show SMILES Clc1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-1-4-10(7-9)22-14-12(25-16(22)24)15-19-13(11-5-2-6-23-11)20-21(15)8-18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496138 (CHEMBL3121727) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCn2ccnc2)cc1 Show InChI InChI=1S/C19H20N6O3/c1-23-17-15(18(26)24(2)19(23)27)21-16(22-17)13-4-6-14(7-5-13)28-11-3-9-25-10-8-20-12-25/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496133 (CHEMBL3121725) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCCl)cc1 Show InChI InChI=1S/C16H17ClN4O3/c1-20-14-12(15(22)21(2)16(20)23)18-13(19-14)10-4-6-11(7-5-10)24-9-3-8-17/h4-7H,3,8-9H2,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine A2A receptor expressed in HEK-293 cells by displacement of [3H]-SCH-58,261				J Med Chem 43: 4359-62 (2000) BindingDB Entry DOI: 10.7270/Q2Z037C8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085674 ((2S,3S,4R,5R)-5-[2-(4-Amino-cyclohexylamino)-6-(2,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:7.12,5.4,35.37,wD:8.8,10.11,38.41,(-2.14,-10.42,;-1.05,-9.34,;-1.45,-7.85,;-.35,-6.77,;-.7,-5.26,;1.12,-7.24,;2.36,-6.34,;3.6,-7.24,;3.12,-8.72,;4.04,-9.95,;1.59,-8.72,;.69,-9.95,;3.38,-4.67,;4.3,-3.42,;3.38,-2.18,;1.92,-2.66,;.59,-1.89,;.57,-.35,;1.92,.42,;1.89,1.96,;3.23,2.73,;4.55,1.96,;5.89,2.73,;5.89,4.28,;4.53,5.03,;3.21,4.26,;.57,2.71,;.57,4.26,;-.77,5.01,;-2.1,4.24,;-2.09,2.7,;-.77,1.93,;-.75,-2.66,;-.75,-4.22,;-2.09,-4.98,;-2.87,-3.64,;-4.41,-3.66,;-5.2,-2.31,;-4.42,-.95,;-5.2,.37,;-2.87,-.95,;-2.09,-2.29,;.59,-4.98,;1.92,-4.2,)| Show InChI InChI=1S/C32H40N8O4/c1-2-34-30(43)27-25(41)26(42)31(44-27)40-18-36-24-28(38-32(39-29(24)40)37-22-15-13-21(33)14-16-22)35-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-23,25-27,31,41-42H,2,13-17,33H2,1H3,(H,34,43)(H2,35,37,38,39)/t21-,22-,25-,26+,27-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50457085 (CHEMBL4203542) Show SMILES Cc1nc2cc(N3CCN(CCn4c5nc(N)n6nc(nc6c5n(C)c4=O)-c4ccco4)CC3)c(F)cc2o1 Show InChI InChI=1S/C25H25FN10O3/c1-14-28-16-13-17(15(26)12-19(16)39-14)34-8-5-33(6-9-34)7-10-35-22-20(32(2)25(35)37)23-29-21(18-4-3-11-38-18)31-36(23)24(27)30-22/h3-4,11-13H,5-10H2,1-2H3,(H2,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at rat A2A receptor assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 mins followed by CGS-21680 addition m...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50457098 (CHEMBL4217582) Show SMILES COc1ccc(N2CCN(CCn3c4nc(N)n5nc(nc5c4n(C)c3=O)-c3ccco3)CC2)c(F)c1 Show InChI InChI=1S/C24H26FN9O3/c1-30-19-21(28-23(26)34-22(19)27-20(29-34)18-4-3-13-37-18)33(24(30)35)12-9-31-7-10-32(11-8-31)17-6-5-15(36-2)14-16(17)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 ...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50457098 (CHEMBL4217582) Show SMILES COc1ccc(N2CCN(CCn3c4nc(N)n5nc(nc5c4n(C)c3=O)-c3ccco3)CC2)c(F)c1 Show InChI InChI=1S/C24H26FN9O3/c1-30-19-21(28-23(26)34-22(19)27-20(29-34)18-4-3-13-37-18)33(24(30)35)12-9-31-7-10-32(11-8-31)17-6-5-15(36-2)14-16(17)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at rat A2A receptor assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 mins followed by CGS-21680 addition m...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493156 (CHEMBL2419150) Show SMILES Brc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1 Show InChI InChI=1S/C19H14BrN3S2/c20-16-8-6-15(7-9-16)13-22-18-17(12-21)25-19(24)23(18)11-10-14-4-2-1-3-5-14/h1-9,13H,10-11H2/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50457084 (CHEMBL4217248) Show SMILES Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(F)cc2F)c1=O Show InChI InChI=1S/C23H23F2N9O2/c1-30-18-20(28-22(26)34-21(18)27-19(29-34)17-3-2-12-36-17)33(23(30)35)11-8-31-6-9-32(10-7-31)16-5-4-14(24)13-15(16)25/h2-5,12-13H,6-11H2,1H3,(H2,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 ...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496134 (CHEMBL3121726) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C18H20N4O3/c1-21-16-14(17(23)22(2)18(21)24)19-15(20-16)11-7-9-13(10-8-11)25-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085671 ((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-(2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12 Show InChI InChI=1S/C33H42N8O4/c1-2-34-31(44)28-26(42)27(43)32(45-28)41-21-37-25-29(38-33(39-30(25)41)35-16-19-40-17-10-5-11-18-40)36-20-24(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,21,24,26-28,32,42-43H,2,5,10-11,16-20H2,1H3,(H,34,44)(H2,35,36,38,39)/t26-,27+,28-,32+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317007 (2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50161342 (2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085668 ((2S,3S,4R,5R)-5-[6-Amino-2-((1R,2R)-2-hydroxy-cycl...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@@H]3CCC[C@H]3O)nc12 Show InChI InChI=1S/C17H25N7O5/c1-2-19-15(28)12-10(26)11(27)16(29-12)24-6-20-9-13(18)22-17(23-14(9)24)21-7-4-3-5-8(7)25/h6-8,10-12,16,25-27H,2-5H2,1H3,(H,19,28)(H3,18,21,22,23)/t7-,8-,10+,11-,12+,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317007 (2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adenosine receptor A2a by cAMP assay				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202775 (8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...) Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394718 (CHEMBL2165801) Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202775 (8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...) Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1659-62 (2007) Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680				J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496142 (CHEMBL3121728) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCN2CCN(Cc3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C27H31ClN6O3/c1-31-25-23(26(35)32(2)27(31)36)29-24(30-25)19-8-10-21(11-9-19)37-17-5-12-33-13-15-34(16-14-33)18-20-6-3-4-7-22(20)28/h3-4,6-11H,5,12-18H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108043 (2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...) Show SMILES Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108043 (2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...) Show SMILES Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.				J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315540 (8-(2-Thioxo-7(3-butyl)-2-(2-furyl),thiazolo,[4,3-e...) Show SMILES CCCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C14H13N5OS2/c1-2-3-6-18-12-10(22-14(18)21)13-16-11(9-5-4-7-20-9)17-19(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108022 (4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108020 (7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)...) Show SMILES NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.				J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108020 (7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)...) Show SMILES NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cells				J Med Chem 40: 2588-95 (1997) Article DOI: 10.1021/jm970084v BindingDB Entry DOI: 10.7270/Q27M08MC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493150 (CHEMBL2419140) Show SMILES Clc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10ClN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50457085 (CHEMBL4203542) Show SMILES Cc1nc2cc(N3CCN(CCn4c5nc(N)n6nc(nc6c5n(C)c4=O)-c4ccco4)CC3)c(F)cc2o1 Show InChI InChI=1S/C25H25FN10O3/c1-14-28-16-13-17(15(26)12-19(16)39-14)34-8-5-33(6-9-34)7-10-35-22-20(32(2)25(35)37)23-29-21(18-4-3-11-38-18)31-36(23)24(27)30-22/h3-4,11-13H,5-10H2,1-2H3,(H2,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 ...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315544 (8-(2-Thioxo-7(3-p-chlorophenyl.)-2-(2-furyl)thiazo...) Show SMILES Clc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50082423 (2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-...) Show SMILES Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50082423 (2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-...) Show SMILES Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 0.06-0.48				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085662 ((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-((1...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@@H]3CCC[C@H]3O)nc12 Show InChI InChI=1S/C31H37N7O5/c1-2-32-29(42)26-24(40)25(41)30(43-26)38-17-34-23-27(36-31(37-28(23)38)35-21-14-9-15-22(21)39)33-16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22,24-26,30,39-41H,2,9,14-16H2,1H3,(H,32,42)(H2,33,35,36,37)/t21-,22-,24+,25-,26+,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50505384 (CHEMBL4457393) Show SMILES COc1c(C)cc(cc1C)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C20H19N5O2/c1-12-9-14(10-13(2)17(12)27-3)16-11-24-19(18(21)22-16)23-25(20(24)26)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay				J Med Chem 62: 8511-8531 (2019) Article DOI: 10.1021/acs.jmedchem.9b00778
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50082423 (2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-...) Show SMILES Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells				J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108019 ((5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1...) Show SMILES Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108019 ((5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1...) Show SMILES Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 0.16-0.21				J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26236 (CHEMBL487569 | N-[6-(3,5-dimethoxyphenyl)-2-(3,5-d...) Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.190	-54.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496131 (CHEMBL3121724) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-5-7-14(8-6-13)27-12-11-24-9-3-4-10-24/h5-8H,3-4,9-12H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair

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