Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50035644   

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 (Rattus norvegicus (rat))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50452337 (CHEMBL2094078) Show SMILES CC(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C19H23N5O4/c1-11(12-5-3-2-4-6-12)7-20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,22)/t11?,13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM42467 ((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50163015 ((2R,3R,4S,5R)-2-[6-(2,2-Diphenyl-ethylamino)-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12 Show InChI InChI=1S/C24H25N5O4/c30-12-18-20(31)21(32)24(33-18)29-14-28-19-22(26-13-27-23(19)29)25-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17-18,20-21,24,30-32H,11-12H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368546 (CHEMBL1257013 | N6-2-Phenylethyladenosine) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50452336 (CHEMBL2113406) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C20H25N5O4/c26-10-14-16(27)17(28)20(29-14)25-12-24-15-18(22-11-23-19(15)25)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,26-28H,4-5,8-10H2,(H,21,22,23)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367412 (CHEMBL604410) Show SMILES CC(C)(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C20H25N5O4/c1-20(2,12-6-4-3-5-7-12)9-21-17-14-18(23-10-22-17)25(11-24-14)19-16(28)15(27)13(8-26)29-19/h3-7,10-11,13,15-16,19,26-28H,8-9H2,1-2H3,(H,21,22,23)/t13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50452335 (CHEMBL2113484) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50163015 ((2R,3R,4S,5R)-2-[6-(2,2-Diphenyl-ethylamino)-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12 Show InChI InChI=1S/C24H25N5O4/c30-12-18-20(31)21(32)24(33-18)29-14-28-19-22(26-13-27-23(19)29)25-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17-18,20-21,24,30-32H,11-12H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367409 (CHEMBL606505) Show SMILES CC(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27N5O4/c1-25(16-8-4-2-5-9-16,17-10-6-3-7-11-17)13-26-22-19-23(28-14-27-22)30(15-29-19)24-21(33)20(32)18(12-31)34-24/h2-11,14-15,18,20-21,24,31-33H,12-13H2,1H3,(H,26,27,28)/t18-,20-,21-,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367409 (CHEMBL606505) Show SMILES CC(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27N5O4/c1-25(16-8-4-2-5-9-16,17-10-6-3-7-11-17)13-26-22-19-23(28-14-27-22)30(15-29-19)24-21(33)20(32)18(12-31)34-24/h2-11,14-15,18,20-21,24,31-33H,12-13H2,1H3,(H,26,27,28)/t18-,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080398 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...) Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367414 (CHEMBL606073) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C25H27N5O4/c31-13-19-21(32)22(33)25(34-19)30-15-29-20-23(27-14-28-24(20)30)26-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,18-19,21-22,25,31-33H,11-13H2,(H,26,27,28)/t19-,21-,22-,25?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50452337 (CHEMBL2094078) Show SMILES CC(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C19H23N5O4/c1-11(12-5-3-2-4-6-12)7-20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,22)/t11?,13-,15-,16-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50241166 ((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367413 (CHEMBL603570) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C27H31N5O4/c33-15-21-23(34)24(35)27(36-21)32-17-31-22-25(29-16-30-26(22)32)28-14-8-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20-21,23-24,27,33-35H,7-8,13-15H2,(H,28,29,30)/t21-,23-,24-,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50368546 (CHEMBL1257013 | N6-2-Phenylethyladenosine) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50241166 ((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367411 (CHEMBL610070) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C26H29N5O4/c32-14-20-22(33)23(34)26(35-20)31-16-30-21-24(28-15-29-25(21)31)27-13-7-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,19-20,22-23,26,32-34H,7,12-14H2,(H,27,28,29)/t20-,22-,23-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367414 (CHEMBL606073) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C25H27N5O4/c31-13-19-21(32)22(33)25(34-19)30-15-29-20-23(27-14-28-24(20)30)26-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,18-19,21-22,25,31-33H,11-13H2,(H,26,27,28)/t19-,21-,22-,25?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367412 (CHEMBL604410) Show SMILES CC(C)(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C20H25N5O4/c1-20(2,12-6-4-3-5-7-12)9-21-17-14-18(23-10-22-17)25(11-24-14)19-16(28)15(27)13(8-26)29-19/h3-7,10-11,13,15-16,19,26-28H,8-9H2,1-2H3,(H,21,22,23)/t13-,15-,16-,19?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50452335 (CHEMBL2113484) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367410 (CHEMBL606064) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C23H23N5O4/c29-11-16-19(30)20(31)23(32-16)28-13-26-18-21(24-12-25-22(18)28)27-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12-13,16-17,19-20,23,29-31H,11H2,(H,24,25,27)/t16-,19-,20-,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM42467 ((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50452336 (CHEMBL2113406) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C20H25N5O4/c26-10-14-16(27)17(28)20(29-14)25-12-24-15-18(22-11-23-19(15)25)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,26-28H,4-5,8-10H2,(H,21,22,23)/t14-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50080398 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...) Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367413 (CHEMBL603570) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C27H31N5O4/c33-15-21-23(34)24(35)27(36-21)32-17-31-22-25(29-16-30-26(22)32)28-14-8-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20-21,23-24,27,33-35H,7-8,13-15H2,(H,28,29,30)/t21-,23-,24-,27?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367410 (CHEMBL606064) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C23H23N5O4/c29-11-16-19(30)20(31)23(32-16)28-13-26-18-21(24-12-25-22(18)28)27-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12-13,16-17,19-20,23,29-31H,11H2,(H,24,25,27)/t16-,19-,20-,23?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367411 (CHEMBL610070) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C26H29N5O4/c32-14-20-22(33)23(34)26(35-20)31-16-30-21-24(28-15-29-25(21)31)27-13-7-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,19-20,22-23,26,32-34H,7,12-14H2,(H,27,28,29)/t20-,22-,23-,26?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367406 (CHEMBL605457) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C30H29N5O4/c36-16-23-25(37)26(38)29(39-23)35-19-34-24-27(32-18-33-28(24)35)31-17-30(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19,23,25-26,29,36-38H,16-17H2,(H,31,32,33)/t23-,25-,26-,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367406 (CHEMBL605457) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C30H29N5O4/c36-16-23-25(37)26(38)29(39-23)35-19-34-24-27(32-18-33-28(24)35)31-17-30(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19,23,25-26,29,36-38H,16-17H2,(H,31,32,33)/t23-,25-,26-,29?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair