Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50032152   

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))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324983 (CHEMBL1221457 | Cyclopropanecarboxylic acid[5-(3-m...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324967 (2-[(Furan-2-carbonyl)-amino]-4-phenyl-thiazole-5-c...) Show SMILES CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324975 (CHEMBL1222306 | N-[5-(5-Methyl-[1,2,4]oxadiazol-3-...) Show SMILES Cc1nc(no1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324984 (3-Methyl-N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-p...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324972 (CHEMBL1222303 | Cyclopropanecarboxylic acid[5-(5-m...) Show SMILES Cc1nc(no1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324973 (3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-p...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324983 (CHEMBL1221457 | Cyclopropanecarboxylic acid[5-(3-m...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324991 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2-ethyl-2H-tetrazol...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324984 (3-Methyl-N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-p...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324986 (CHEMBL1221504 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324968 (CHEMBL1222241 | Furan-2-carboxylic acid(5-butyryl-...) Show SMILES CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI 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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324988 (CHEMBL1221506 | Cyclopropanecarboxylic acid[5-(2-e...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324978 (3-Methyl-N-(5-[1,2,4]oxadiazol-3-yl-4-phenyl-thiaz...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1ncon1)-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324973 (3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-p...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324974 (CHEMBL1222305 | N-[5-(5-Methyl-[1,2,4]oxadiazol-3-...) Show SMILES Cc1nc(no1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 Show InChI InChI=1S/C19H14N4O2S/c1-12-20-17(23-25-12)16-15(13-8-4-2-5-9-13)21-19(26-16)22-18(24)14-10-6-3-7-11-14/h2-11H,1H3,(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324968 (CHEMBL1222241 | Furan-2-carboxylic acid(5-butyryl-...) Show SMILES CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324969 (CHEMBL1222242 | Furan-2-carboxylic acid(5-ethoxyme...) Show SMILES CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324987 (CHEMBL1221505 | Furan-2-carboxylic acid[5-(2-ethyl...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324967 (2-[(Furan-2-carbonyl)-amino]-4-phenyl-thiazole-5-c...) Show SMILES CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324982 (CHEMBL1221456 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...) Show SMILES CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324977 (CHEMBL1222370 | Cyclopropanecarboxylic acid(5-[1,2...) Show SMILES O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)C1CC1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324972 (CHEMBL1222303 | Cyclopropanecarboxylic acid[5-(5-m...) Show SMILES Cc1nc(no1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324985 (CHEMBL1221459 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324969 (CHEMBL1222242 | Furan-2-carboxylic acid(5-ethoxyme...) Show SMILES CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324985 (CHEMBL1221459 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324971 (CHEMBL1222302 | N-[5-(5-Methyl-[1,2,4]oxadiazol-3-...) Show SMILES CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1 Show InChI InChI=1S/C14H12N4O2S/c1-8(19)15-14-17-11(10-6-4-3-5-7-10)12(21-14)13-16-9(2)20-18-13/h3-7H,1-2H3,(H,15,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324981 (CHEMBL1221455 | Furan-2-carboxylic acid[5-(3-methy...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324988 (CHEMBL1221506 | Cyclopropanecarboxylic acid[5-(2-e...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324989 (CHEMBL1221507 | N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 Show InChI InChI=1S/C19H16N6OS/c1-2-25-23-17(22-24-25)16-15(13-9-5-3-6-10-13)20-19(27-16)21-18(26)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324976 (CHEMBL1222369 | Furan-2-carboxylic acid(5-[1,2,4]o...) Show SMILES O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccco1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324975 (CHEMBL1222306 | N-[5-(5-Methyl-[1,2,4]oxadiazol-3-...) Show SMILES Cc1nc(no1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324981 (CHEMBL1221455 | Furan-2-carboxylic acid[5-(3-methy...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324992 (CHEMBL1222245 | Furan-2-carboxylic acid(5-cyano-4-...) Show SMILES O=C(Nc1nc(c(s1)C#N)-c1ccccc1)c1ccco1 Show InChI InChI=1S/C15H9N3O2S/c16-9-12-13(10-5-2-1-3-6-10)17-15(21-12)18-14(19)11-7-4-8-20-11/h1-8H,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324979 (CHEMBL1222372 | N-(5-[1,2,4]Oxadiazol-3-yl-4-pheny...) Show SMILES O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324977 (CHEMBL1222370 | Cyclopropanecarboxylic acid(5-[1,2...) Show SMILES O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)C1CC1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324979 (CHEMBL1222372 | N-(5-[1,2,4]Oxadiazol-3-yl-4-pheny...) Show SMILES O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324978 (3-Methyl-N-(5-[1,2,4]oxadiazol-3-yl-4-phenyl-thiaz...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1ncon1)-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324986 (CHEMBL1221504 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324982 (CHEMBL1221456 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...) Show SMILES CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324976 (CHEMBL1222369 | Furan-2-carboxylic acid(5-[1,2,4]o...) Show SMILES O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccco1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324990 (CHEMBL1221508 | N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324987 (CHEMBL1221505 | Furan-2-carboxylic acid[5-(2-ethyl...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324970 (CHEMBL1222246 | Furan-2-carboxylic acid[5-(5-methy...) Show SMILES Cc1nc(no1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50324980 (CHEMBL1222373 | N-(5-[1,2,4]Oxadiazol-3-yl-4-pheny...) Show SMILES O=C(Cc1ccccc1)Nc1nc(c(s1)-c1ncon1)-c1ccccc1 Show InChI 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324970 (CHEMBL1222246 | Furan-2-carboxylic acid[5-(5-methy...) Show SMILES Cc1nc(no1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324990 (CHEMBL1221508 | N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324991 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2-ethyl-2H-tetrazol...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair

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