Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50017795   

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 A1 (Homo sapiens (Human))	BDBM50186588 (8-cyclopentyl-2,6-diphenyl-9H-purine | CHEMBL20782...) Show SMILES C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186599 (8-cyclohexyl-2,6-diphenyl-9H-purine | CHEMBL207529...) Show SMILES C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186590 (8-isopropyl-2,6-diphenyl-9H-purine | CHEMBL204780 ...) Show SMILES CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186589 (8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-9H-purin...) Show SMILES COc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O/c1-29-19-14-12-16(13-15-19)20-21-24(27-22(25-20)17-8-4-2-5-9-17)28-23(26-21)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186597 (2-tolyl-6-phenyl-9H-purine | CHEMBL205194) Show SMILES Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186591 (2-(4-methoxyphenyl)-6-phenyl-9H-purine | CHEMBL207...) Show SMILES COc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-21-15(12-5-3-2-4-6-12)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186594 (2,6-diphenyl-9H-purine | CHEMBL381729) Show SMILES c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186587 (8-propyl-2,6-diphenyl-9H-purine | CHEMBL424869) Show SMILES CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186598 (2,6-bis(4-tolyl)-9H-purine | CHEMBL205192) Show SMILES Cc1ccc(cc1)-c1nc(-c2ccc(C)cc2)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16N4/c1-12-3-7-14(8-4-12)16-17-19(21-11-20-17)23-18(22-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186597 (2-tolyl-6-phenyl-9H-purine | CHEMBL205194) Show SMILES Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186590 (8-isopropyl-2,6-diphenyl-9H-purine | CHEMBL204780 ...) Show SMILES CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186587 (8-propyl-2,6-diphenyl-9H-purine | CHEMBL424869) Show SMILES CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186596 (2,6,8-triphenyl-9H-purine | CHEMBL378959) Show SMILES c1ccc(cc1)-c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H16N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-15H,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186601 (8-cyclohexyl-6-(4-chlorophenyl)-2-phenyl-9H-purine...) Show SMILES Clc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C23H21ClN4/c24-18-13-11-15(12-14-18)19-20-23(27-21(25-19)16-7-3-1-4-8-16)28-22(26-20)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186593 (2-(4-chlorophenyl)-6-phenyl-9H-purine | CHEMBL2055...) Show SMILES Clc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186591 (2-(4-methoxyphenyl)-6-phenyl-9H-purine | CHEMBL207...) Show SMILES COc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-21-15(12-5-3-2-4-6-12)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186588 (8-cyclopentyl-2,6-diphenyl-9H-purine | CHEMBL20782...) Show SMILES C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186595 (8-cyclohexyl-6-(4-tolyl)-2-phenyl-9H-purine | CHEM...) Show SMILES Cc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C24H24N4/c1-16-12-14-17(15-13-16)20-21-24(27-22(25-20)18-8-4-2-5-9-18)28-23(26-21)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19H,3,6-7,10-11H2,1H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186592 (8-cyclohexyl-6-(3,4-dichlorophenyl)-2-phenyl-9H-pu...) Show SMILES Clc1ccc(cc1Cl)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C23H20Cl2N4/c24-17-12-11-16(13-18(17)25)19-20-23(28-21(26-19)14-7-3-1-4-8-14)29-22(27-20)15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186594 (2,6-diphenyl-9H-purine | CHEMBL381729) Show SMILES c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186596 (2,6,8-triphenyl-9H-purine | CHEMBL378959) Show SMILES c1ccc(cc1)-c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H16N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-15H,(H,24,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50186594 (2,6-diphenyl-9H-purine | CHEMBL381729) Show SMILES c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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 Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50186588 (8-cyclopentyl-2,6-diphenyl-9H-purine | CHEMBL20782...) Show SMILES C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	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 Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50186596 (2,6,8-triphenyl-9H-purine | CHEMBL378959) Show SMILES c1ccc(cc1)-c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H16N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-15H,(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	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 Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186602 (2,6-bis(4-chlorophenyl)-9H-purine | CHEMBL426497) Show SMILES Clc1ccc(cc1)-c1nc(-c2ccc(Cl)cc2)c2[nH]cnc2n1 Show InChI InChI=1S/C17H10Cl2N4/c18-12-5-1-10(2-6-12)14-15-17(21-9-20-15)23-16(22-14)11-3-7-13(19)8-4-11/h1-9H,(H,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186593 (2-(4-chlorophenyl)-6-phenyl-9H-purine | CHEMBL2055...) Show SMILES Clc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50186599 (8-cyclohexyl-2,6-diphenyl-9H-purine | CHEMBL207529...) Show SMILES C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	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 Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186589 (8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-9H-purin...) Show SMILES COc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O/c1-29-19-14-12-16(13-15-19)20-21-24(27-22(25-20)17-8-4-2-5-9-17)28-23(26-21)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,25,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50186590 (8-isopropyl-2,6-diphenyl-9H-purine | CHEMBL204780 ...) Show SMILES CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	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 Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186600 (2,6-bis(4-methoxyphenyl)-9H-purine | CHEMBL437123) Show SMILES COc1ccc(cc1)-c1nc(-c2ccc(OC)cc2)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16N4O2/c1-24-14-7-3-12(4-8-14)16-17-19(21-11-20-17)23-18(22-16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50186587 (8-propyl-2,6-diphenyl-9H-purine | CHEMBL424869) Show SMILES CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	167	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 Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186599 (8-cyclohexyl-2,6-diphenyl-9H-purine | CHEMBL207529...) Show SMILES C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186598 (2,6-bis(4-tolyl)-9H-purine | CHEMBL205192) Show SMILES Cc1ccc(cc1)-c1nc(-c2ccc(C)cc2)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16N4/c1-12-3-7-14(8-4-12)16-17-19(21-11-20-17)23-18(22-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50186601 (8-cyclohexyl-6-(4-chlorophenyl)-2-phenyl-9H-purine...) Show SMILES Clc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C23H21ClN4/c24-18-13-11-15(12-14-18)19-20-23(27-21(25-19)16-7-3-1-4-8-16)28-22(26-20)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,25,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	243	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 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50186597 (2-tolyl-6-phenyl-9H-purine | CHEMBL205194) Show SMILES Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	289	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 Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50186593 (2-(4-chlorophenyl)-6-phenyl-9H-purine | CHEMBL2055...) Show SMILES Clc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	315	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 Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186599 (8-cyclohexyl-2,6-diphenyl-9H-purine | CHEMBL207529...) Show SMILES C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	477	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Activity against human adenosine A1 receptor in CHO cells assessed by the antagonizing effect of 100 nM CPA on forskolin-induced cAMP production				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
					More data for this Ligand-Target Pair