Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50036569   

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))	BDBM50112193 (CHEMBL52648 | N-[5-(6-Cyclopentylamino-purin-9-yl)...) Show SMILES Cc1ccc(cc1C)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C24H30N6O4/c1-13-7-8-15(9-14(13)2)23(33)29-18-17(10-31)34-24(20(18)32)30-12-27-19-21(25-11-26-22(19)30)28-16-5-3-4-6-16/h7-9,11-12,16-18,20,24,31-32H,3-6,10H2,1-2H3,(H,29,33)(H,25,26,28)/t17-,18+,20-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454674 (CHEMBL2112630) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H24Cl2N6O4/c23-13-6-5-11(7-14(13)24)21(33)29-16-15(8-31)34-22(18(16)32)30-10-27-17-19(25-9-26-20(17)30)28-12-3-1-2-4-12/h5-7,9-10,12,15-16,18,22,31-32H,1-4,8H2,(H,29,33)(H,25,26,28)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50112193 (CHEMBL52648 | N-[5-(6-Cyclopentylamino-purin-9-yl)...) Show SMILES Cc1ccc(cc1C)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C24H30N6O4/c1-13-7-8-15(9-14(13)2)23(33)29-18-17(10-31)34-24(20(18)32)30-12-27-19-21(25-11-26-22(19)30)28-16-5-3-4-6-16/h7-9,11-12,16-18,20,24,31-32H,3-6,10H2,1-2H3,(H,29,33)(H,25,26,28)/t17-,18+,20-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454674 (CHEMBL2112630) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H24Cl2N6O4/c23-13-6-5-11(7-14(13)24)21(33)29-16-15(8-31)34-22(18(16)32)30-10-27-17-19(25-9-26-20(17)30)28-12-3-1-2-4-12/h5-7,9-10,12,15-16,18,22,31-32H,1-4,8H2,(H,29,33)(H,25,26,28)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454666 (CHEMBL2112627) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)cc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H25ClN6O4/c23-13-7-5-12(6-8-13)21(32)28-16-15(9-30)33-22(18(16)31)29-11-26-17-19(24-10-25-20(17)29)27-14-3-1-2-4-14/h5-8,10-11,14-16,18,22,30-31H,1-4,9H2,(H,28,32)(H,24,25,27)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060845 (CHEMBL122746 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES Cc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O4/c1-13-6-8-14(9-7-13)22(32)28-17-16(10-30)33-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-15-4-2-3-5-15/h6-9,11-12,15-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060845 (CHEMBL122746 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES Cc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O4/c1-13-6-8-14(9-7-13)22(32)28-17-16(10-30)33-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-15-4-2-3-5-15/h6-9,11-12,15-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454665 (CHEMBL2112626) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C25H32N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h1-3,7-8,14-15,17-18,20,22,25,32,34H,4-6,9-13H2,(H,30,33)(H,26,27,29)/t18-,20+,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454666 (CHEMBL2112627) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)cc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H25ClN6O4/c23-13-7-5-12(6-8-13)21(32)28-16-15(9-30)33-22(18(16)31)29-11-26-17-19(24-10-25-20(17)29)27-14-3-1-2-4-14/h5-8,10-11,14-16,18,22,30-31H,1-4,9H2,(H,28,32)(H,24,25,27)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453913 (CHEMBL2112619) Show SMILES OC[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H21N5O3/c21-6-10-5-11(22)15(23-10)20-8-18-12-13(16-7-17-14(12)20)19-9-3-1-2-4-9/h7-11,15,21-22H,1-6H2,(H,16,17,19)/t10-,11+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060840 (CHEMBL340299 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O5/c1-33-15-8-6-13(7-9-15)22(32)28-17-16(10-30)34-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-14-4-2-3-5-14/h6-9,11-12,14,16-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454665 (CHEMBL2112626) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C25H32N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h1-3,7-8,14-15,17-18,20,22,25,32,34H,4-6,9-13H2,(H,30,33)(H,26,27,29)/t18-,20+,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060847 (4-Cyclohexyl-N-[(R)-5-(6-cyclopentylamino-purin-9-...) Show SMILES OCC1OC(C(O)[C@H]1NC(=O)CCCC1CCCCC1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C25H38N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h14-18,20,22,25,32,34H,1-13H2,(H,30,33)(H,26,27,29)/t18?,20-,22?,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060847 (4-Cyclohexyl-N-[(R)-5-(6-cyclopentylamino-purin-9-...) Show SMILES OCC1OC(C(O)[C@H]1NC(=O)CCCC1CCCCC1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C25H38N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h14-18,20,22,25,32,34H,1-13H2,(H,30,33)(H,26,27,29)/t18?,20-,22?,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454669 (CHEMBL2112632) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C26H34N6O4/c33-14-19-21(31-20(34)13-7-4-10-17-8-2-1-3-9-17)23(35)26(36-19)32-16-29-22-24(27-15-28-25(22)32)30-18-11-5-6-12-18/h1-3,8-9,15-16,18-19,21,23,26,33,35H,4-7,10-14H2,(H,31,34)(H,27,28,30)/t19-,21+,23-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060840 (CHEMBL340299 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O5/c1-33-15-8-6-13(7-9-15)22(32)28-17-16(10-30)34-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-14-4-2-3-5-14/h6-9,11-12,14,16-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454669 (CHEMBL2112632) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C26H34N6O4/c33-14-19-21(31-20(34)13-7-4-10-17-8-2-1-3-9-17)23(35)26(36-19)32-16-29-22-24(27-15-28-25(22)32)30-18-11-5-6-12-18/h1-3,8-9,15-16,18-19,21,23,26,33,35H,4-7,10-14H2,(H,31,34)(H,27,28,30)/t19-,21+,23-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454673 (CHEMBL2112620) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H26N6O4/c29-10-15-16(27-21(31)13-6-2-1-3-7-13)18(30)22(32-15)28-12-25-17-19(23-11-24-20(17)28)26-14-8-4-5-9-14/h1-3,6-7,11-12,14-16,18,22,29-30H,4-5,8-10H2,(H,27,31)(H,23,24,26)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454667 (CHEMBL2112625) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C24H30N6O4/c31-12-17-19(29-18(32)11-10-15-6-2-1-3-7-15)21(33)24(34-17)30-14-27-20-22(25-13-26-23(20)30)28-16-8-4-5-9-16/h1-3,6-7,13-14,16-17,19,21,24,31,33H,4-5,8-12H2,(H,29,32)(H,25,26,28)/t17-,19+,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454667 (CHEMBL2112625) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C24H30N6O4/c31-12-17-19(29-18(32)11-10-15-6-2-1-3-7-15)21(33)24(34-17)30-14-27-20-22(25-13-26-23(20)30)28-16-8-4-5-9-16/h1-3,6-7,13-14,16-17,19,21,24,31,33H,4-5,8-12H2,(H,29,32)(H,25,26,28)/t17-,19+,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454673 (CHEMBL2112620) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H26N6O4/c29-10-15-16(27-21(31)13-6-2-1-3-7-13)18(30)22(32-15)28-12-25-17-19(23-11-24-20(17)28)26-14-8-4-5-9-14/h1-3,6-7,11-12,14-16,18,22,29-30H,4-5,8-10H2,(H,27,31)(H,23,24,26)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453913 (CHEMBL2112619) Show SMILES OC[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H21N5O3/c21-6-10-5-11(22)15(23-10)20-8-18-12-13(16-7-17-14(12)20)19-9-3-1-2-4-9/h7-11,15,21-22H,1-6H2,(H,16,17,19)/t10-,11+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454666 (CHEMBL2112627) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)cc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H25ClN6O4/c23-13-7-5-12(6-8-13)21(32)28-16-15(9-30)33-22(18(16)31)29-11-26-17-19(24-10-25-20(17)29)27-14-3-1-2-4-14/h5-8,10-11,14-16,18,22,30-31H,1-4,9H2,(H,28,32)(H,24,25,27)/t15-,16+,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454665 (CHEMBL2112626) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C25H32N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h1-3,7-8,14-15,17-18,20,22,25,32,34H,4-6,9-13H2,(H,30,33)(H,26,27,29)/t18-,20+,22-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454668 (CHEMBL2112631) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(cc1)[N+]([O-])=O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H25N7O6/c30-9-15-16(27-21(32)12-5-7-14(8-6-12)29(33)34)18(31)22(35-15)28-11-25-17-19(23-10-24-20(17)28)26-13-3-1-2-4-13/h5-8,10-11,13,15-16,18,22,30-31H,1-4,9H2,(H,27,32)(H,23,24,26)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060835 (CHEMBL121997 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES OCC1OC(C(O)[C@H]1NC(=O)Cc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O4/c30-11-16-18(28-17(31)10-14-6-2-1-3-7-14)20(32)23(33-16)29-13-26-19-21(24-12-25-22(19)29)27-15-8-4-5-9-15/h1-3,6-7,12-13,15-16,18,20,23,30,32H,4-5,8-11H2,(H,28,31)(H,24,25,27)/t16?,18-,20?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50060840 (CHEMBL340299 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O5/c1-33-15-8-6-13(7-9-15)22(32)28-17-16(10-30)34-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-14-4-2-3-5-14/h6-9,11-12,14,16-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50060845 (CHEMBL122746 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES Cc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O4/c1-13-6-8-14(9-7-13)22(32)28-17-16(10-30)33-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-15-4-2-3-5-15/h6-9,11-12,15-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454668 (CHEMBL2112631) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(cc1)[N+]([O-])=O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H25N7O6/c30-9-15-16(27-21(32)12-5-7-14(8-6-12)29(33)34)18(31)22(35-15)28-11-25-17-19(23-10-24-20(17)28)26-13-3-1-2-4-13/h5-8,10-11,13,15-16,18,22,30-31H,1-4,9H2,(H,27,32)(H,23,24,26)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060835 (CHEMBL121997 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES OCC1OC(C(O)[C@H]1NC(=O)Cc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O4/c30-11-16-18(28-17(31)10-14-6-2-1-3-7-14)20(32)23(33-16)29-13-26-19-21(24-12-25-22(19)29)27-15-8-4-5-9-15/h1-3,6-7,12-13,15-16,18,20,23,30,32H,4-5,8-11H2,(H,28,31)(H,24,25,27)/t16?,18-,20?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454671 (CHEMBL2112622) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O Show InChI InChI=1S/C20H30N6O4/c21-18-16-19(23-10-22-18)26(11-24-16)20-17(29)15(13(9-27)30-20)25-14(28)8-4-7-12-5-2-1-3-6-12/h10-13,15,17,20,27,29H,1-9H2,(H,25,28)(H2,21,22,23)/t13-,15+,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454674 (CHEMBL2112630) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H24Cl2N6O4/c23-13-6-5-11(7-14(13)24)21(33)29-16-15(8-31)34-22(18(16)32)30-10-27-17-19(25-9-26-20(17)30)28-12-3-1-2-4-12/h5-7,9-10,12,15-16,18,22,31-32H,1-4,8H2,(H,29,33)(H,25,26,28)/t15-,16+,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454670 (CHEMBL2112633) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1N=[N+]=[N-])n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H20N8O3/c16-22-21-10-9(5-24)26-15(12(10)25)23-7-19-11-13(17-6-18-14(11)23)20-8-3-1-2-4-8/h6-10,12,15,24-25H,1-5H2,(H,17,18,20)/t9-,10+,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454675 (CHEMBL2112612) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-13(25)11(10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)/t10-,11+,13-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454671 (CHEMBL2112622) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O Show InChI InChI=1S/C20H30N6O4/c21-18-16-19(23-10-22-18)26(11-24-16)20-17(29)15(13(9-27)30-20)25-14(28)8-4-7-12-5-2-1-3-6-12/h10-13,15,17,20,27,29H,1-9H2,(H,25,28)(H2,21,22,23)/t13-,15+,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454673 (CHEMBL2112620) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H26N6O4/c29-10-15-16(27-21(31)13-6-2-1-3-7-13)18(30)22(32-15)28-12-25-17-19(23-11-24-20(17)28)26-14-8-4-5-9-14/h1-3,6-7,11-12,14-16,18,22,29-30H,4-5,8-10H2,(H,27,31)(H,23,24,26)/t15-,16+,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454671 (CHEMBL2112622) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O Show InChI InChI=1S/C20H30N6O4/c21-18-16-19(23-10-22-18)26(11-24-16)20-17(29)15(13(9-27)30-20)25-14(28)8-4-7-12-5-2-1-3-6-12/h10-13,15,17,20,27,29H,1-9H2,(H,25,28)(H2,21,22,23)/t13-,15+,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50112193 (CHEMBL52648 | N-[5-(6-Cyclopentylamino-purin-9-yl)...) Show SMILES Cc1ccc(cc1C)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C24H30N6O4/c1-13-7-8-15(9-14(13)2)23(33)29-18-17(10-31)34-24(20(18)32)30-12-27-19-21(25-11-26-22(19)30)28-16-5-3-4-6-16/h7-9,11-12,16-18,20,24,31-32H,3-6,10H2,1-2H3,(H,29,33)(H,25,26,28)/t17-,18+,20-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454669 (CHEMBL2112632) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C26H34N6O4/c33-14-19-21(31-20(34)13-7-4-10-17-8-2-1-3-9-17)23(35)26(36-19)32-16-29-22-24(27-15-28-25(22)32)30-18-11-5-6-12-18/h1-3,8-9,15-16,18-19,21,23,26,33,35H,4-7,10-14H2,(H,31,34)(H,27,28,30)/t19-,21+,23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50060839 (5-Phenyl-pentanoic acid [(R)-5-(6-amino-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O Show InChI InChI=1S/C21H26N6O4/c22-19-17-20(24-11-23-19)27(12-25-17)21-18(30)16(14(10-28)31-21)26-15(29)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16,18,21,28,30H,4-5,8-10H2,(H,26,29)(H2,22,23,24)/t14?,16-,18?,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060839 (5-Phenyl-pentanoic acid [(R)-5-(6-amino-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O Show InChI InChI=1S/C21H26N6O4/c22-19-17-20(24-11-23-19)27(12-25-17)21-18(30)16(14(10-28)31-21)26-15(29)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16,18,21,28,30H,4-5,8-10H2,(H,26,29)(H2,22,23,24)/t14?,16-,18?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454668 (CHEMBL2112631) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(cc1)[N+]([O-])=O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H25N7O6/c30-9-15-16(27-21(32)12-5-7-14(8-6-12)29(33)34)18(31)22(35-15)28-11-25-17-19(23-10-24-20(17)28)26-13-3-1-2-4-13/h5-8,10-11,13,15-16,18,22,30-31H,1-4,9H2,(H,27,32)(H,23,24,26)/t15-,16+,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50144950 (3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O |r| Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50144950 (3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O |r| Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060839 (5-Phenyl-pentanoic acid [(R)-5-(6-amino-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O Show InChI InChI=1S/C21H26N6O4/c22-19-17-20(24-11-23-19)27(12-25-17)21-18(30)16(14(10-28)31-21)26-15(29)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16,18,21,28,30H,4-5,8-10H2,(H,26,29)(H2,22,23,24)/t14?,16-,18?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50454667 (CHEMBL2112625) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C24H30N6O4/c31-12-17-19(29-18(32)11-10-15-6-2-1-3-7-15)21(33)24(34-17)30-14-27-20-22(25-13-26-23(20)30)28-16-8-4-5-9-16/h1-3,6-7,13-14,16-17,19,21,24,31,33H,4-5,8-12H2,(H,29,32)(H,25,26,28)/t17-,19+,21-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454670 (CHEMBL2112633) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1N=[N+]=[N-])n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H20N8O3/c16-22-21-10-9(5-24)26-15(12(10)25)23-7-19-11-13(17-6-18-14(11)23)20-8-3-1-2-4-8/h6-10,12,15,24-25H,1-5H2,(H,17,18,20)/t9-,10+,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454675 (CHEMBL2112612) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-13(25)11(10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)/t10-,11+,13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454675 (CHEMBL2112612) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-13(25)11(10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)/t10-,11+,13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454670 (CHEMBL2112633) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1N=[N+]=[N-])n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H20N8O3/c16-22-21-10-9(5-24)26-15(12(10)25)23-7-19-11-13(17-6-18-14(11)23)20-8-3-1-2-4-8/h6-10,12,15,24-25H,1-5H2,(H,17,18,20)/t9-,10+,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair

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