Compile Data Set for Download or QSAR

Found 122 hits Enz. Inhib. hit(s) with all data for entry = 50031578   

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 A3 (Homo sapiens (Human))	BDBM50315643 (CHEMBL1091268 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1 Show InChI InChI=1S/C21H17N7O/c1-27-13-16-19(25-27)24-21(22-17(29)12-14-8-4-2-5-9-14)28-20(16)23-18(26-28)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,22,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315644 (CHEMBL1091640 | N-[2-(4-Fluorophenyl)-8-methylpyra...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1 Show InChI InChI=1S/C21H16FN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315647 (CHEMBL1091938 | N-[2-(4-Methoxyphenyl)-8-methylpyr...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C22H19N7O2/c1-28-13-17-20(26-28)25-22(23-18(30)12-14-6-4-3-5-7-14)29-21(17)24-19(27-29)15-8-10-16(31-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,23,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315645 (CHEMBL1091641 | N-[2-(4-Chlorophenyl)-8-methylpyra...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315646 (CHEMBL1091937 | N-[2-(4-Bromophenyl)-8-methylpyraz...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H16BrN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315648 (CHEMBL1090461 | N-[2-(4-Nitrophenyl)-8-methylpyraz...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H16N8O3/c1-27-12-16-19(25-27)24-21(22-17(30)11-13-5-3-2-4-6-13)28-20(16)23-18(26-28)14-7-9-15(10-8-14)29(31)32/h2-10,12H,11H2,1H3,(H,22,24,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.624	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109453 (CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315637 (CHEMBL1090242 | N-[2-(4-Methoxyphenyl)-8-methylpyr...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C21H17N7O2/c1-27-12-16-18(25-27)23-21(24-20(29)14-6-4-3-5-7-14)28-19(16)22-17(26-28)13-8-10-15(30-2)11-9-13/h3-12H,1-2H3,(H,23,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315635 (CHEMBL1089905 | N-[2-(4-Chlorophenyl)-8-methylpyra...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H14ClN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315634 (CHEMBL1091134 | N-[2-(4-Fluorophenyl)-8-methylpyra...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(F)cc1 Show InChI InChI=1S/C20H14FN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315633 (CHEMBL1089904 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1 Show InChI InChI=1S/C20H15N7O/c1-26-12-15-17(24-26)22-20(23-19(28)14-10-6-3-7-11-14)27-18(15)21-16(25-27)13-8-4-2-5-9-13/h2-12H,1H3,(H,22,23,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315636 (CHEMBL1090241 | N-[2-(4-Bromophenyl)-8-methylpyraz...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315639 (CHEMBL1091963 | N-Benzoyl-N-[8-methyl-2-(4-methoxy...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C28H21N7O3/c1-33-17-22-24(31-33)30-28(35-25(22)29-23(32-35)18-13-15-21(38-2)16-14-18)34(26(36)19-9-5-3-6-10-19)27(37)20-11-7-4-8-12-20/h3-17H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315640 (CHEMBL1093201 | N-Benzoyl-N-[8-methyl-2-(4-chlorop...) Show SMILES Cn1cc2c(n1)nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H18ClN7O2/c1-33-16-21-23(31-33)30-27(35-24(21)29-22(32-35)17-12-14-20(28)15-13-17)34(25(36)18-8-4-2-5-9-18)26(37)19-10-6-3-7-11-19/h2-16H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315624 (2-(4-Methoxyphenyl)-8-methylpyrazolo[4,3-e]1,2,4-t...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N)n2n1 Show InChI InChI=1S/C14H13N7O/c1-20-7-10-12(18-20)17-14(15)21-13(10)16-11(19-21)8-3-5-9(22-2)6-4-8/h3-7H,1-2H3,(H2,15,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315641 (CHEMBL1093202 | N-[2-(Phenyl)-8-phenylethyl-pyrazo...) Show SMILES O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H21N7O/c35-26(21-14-8-3-9-15-21)30-27-29-24-22(18-33(31-24)17-16-19-10-4-1-5-11-19)25-28-23(32-34(25)27)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,29,30,31,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315632 (2-(4-Methoxyphenyl)-8-phenylethylpyrazolo[4,3-e]1,...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(N)n2n1 Show InChI InChI=1S/C21H19N7O/c1-29-16-9-7-15(8-10-16)18-23-20-17-13-27(12-11-14-5-3-2-4-6-14)25-19(17)24-21(22)28(20)26-18/h2-10,13H,11-12H2,1H3,(H2,22,24,25)	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
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315621 (2-(4-Fluorophenyl)-8-methylpyrazolo[4,3-e]1,2,4-tr...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(F)cc1 Show InChI InChI=1S/C13H10FN7/c1-20-6-9-11(18-20)17-13(15)21-12(9)16-10(19-21)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315623 (2-(4-Bromophenyl)-8-methylpyrazolo[4,3-e]1,2,4-tri...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C13H10BrN7/c1-20-6-9-11(18-20)17-13(15)21-12(9)16-10(19-21)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315629 (2-(4-Fluorophenyl)-8-phenylethylpyrazolo[4,3-e]1,2...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H16FN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315629 (2-(4-Fluorophenyl)-8-phenylethylpyrazolo[4,3-e]1,2...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H16FN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315638 (CHEMBL1090243 | N-[2-(4-Nitrophenyl)-8-methylpyraz...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H14N8O3/c1-26-11-15-17(24-26)22-20(23-19(29)13-5-3-2-4-6-13)27-18(15)21-16(25-27)12-7-9-14(10-8-12)28(30)31/h2-11H,1H3,(H,22,23,24,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315627 (2-(4-Chlorophenyl)-8-ethylpyrazolo[4,3-e]1,2,4-tri...) Show SMILES CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H12ClN7/c1-2-21-7-10-12(19-21)18-14(16)22-13(10)17-11(20-22)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H2,16,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315622 (2-(4-Chlorophenyl)-8-methylpyrazolo[4,3-e]1,2,4-tr...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H10ClN7/c1-20-6-9-11(18-20)17-13(15)21-12(9)16-10(19-21)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315628 (2-(Phenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triaz...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C20H17N7/c21-20-23-18-16(13-26(24-18)12-11-14-7-3-1-4-8-14)19-22-17(25-27(19)20)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315620 (2-(Phenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo[1...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccccc1 Show InChI InChI=1S/C13H11N7/c1-19-7-9-11(17-19)16-13(14)20-12(9)15-10(18-20)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315628 (2-(Phenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triaz...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C20H17N7/c21-20-23-18-16(13-26(24-18)12-11-14-7-3-1-4-8-14)19-22-17(25-27(19)20)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,21,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315630 (2-(4-Chlorophenyl)-8-phenylethylpyrazolo[4,3-e]1,2...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H16ClN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315626 (2-(4-Chlorophenyl)-7-ethylpyrazolo[4,3-e]1,2,4-tri...) Show SMILES CCn1ncc2c1nc(N)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H12ClN7/c1-2-21-12-10(7-17-21)13-18-11(20-22(13)14(16)19-12)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H2,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315620 (2-(Phenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo[1...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccccc1 Show InChI InChI=1S/C13H11N7/c1-19-7-9-11(17-19)16-13(14)20-12(9)15-10(18-20)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315626 (2-(4-Chlorophenyl)-7-ethylpyrazolo[4,3-e]1,2,4-tri...) Show SMILES CCn1ncc2c1nc(N)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H12ClN7/c1-2-21-12-10(7-17-21)13-18-11(20-22(13)14(16)19-12)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H2,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315629 (2-(4-Fluorophenyl)-8-phenylethylpyrazolo[4,3-e]1,2...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H16FN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315642 (CHEMBL1091267 | N-[2-(4-Bromophenyl)-8-phenylethyl...) Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20BrN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315628 (2-(Phenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triaz...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C20H17N7/c21-20-23-18-16(13-26(24-18)12-11-14-7-3-1-4-8-14)19-22-17(25-27(19)20)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315630 (2-(4-Chlorophenyl)-8-phenylethylpyrazolo[4,3-e]1,2...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H16ClN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315631 (2-(4-Bromophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H16BrN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315642 (CHEMBL1091267 | N-[2-(4-Bromophenyl)-8-phenylethyl...) Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20BrN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315632 (2-(4-Methoxyphenyl)-8-phenylethylpyrazolo[4,3-e]1,...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(N)n2n1 Show InChI InChI=1S/C21H19N7O/c1-29-16-9-7-15(8-10-16)18-23-20-17-13-27(12-11-14-5-3-2-4-6-14)25-19(17)24-21(22)28(20)26-18/h2-10,13H,11-12H2,1H3,(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094701 (2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315641 (CHEMBL1093202 | N-[2-(Phenyl)-8-phenylethyl-pyrazo...) Show SMILES O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H21N7O/c35-26(21-14-8-3-9-15-21)30-27-29-24-22(18-33(31-24)17-16-19-10-4-1-5-11-19)25-28-23(32-34(25)27)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,29,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315633 (CHEMBL1089904 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1 Show InChI InChI=1S/C20H15N7O/c1-26-12-15-17(24-26)22-20(23-19(28)14-10-6-3-7-11-14)27-18(15)21-16(25-27)13-8-4-2-5-9-13/h2-12H,1H3,(H,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315620 (2-(Phenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo[1...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccccc1 Show InChI InChI=1S/C13H11N7/c1-19-7-9-11(17-19)16-13(14)20-12(9)15-10(18-20)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315621 (2-(4-Fluorophenyl)-8-methylpyrazolo[4,3-e]1,2,4-tr...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(F)cc1 Show InChI InChI=1S/C13H10FN7/c1-20-6-9-11(18-20)17-13(15)21-12(9)16-10(19-21)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315631 (2-(4-Bromophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H16BrN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	498	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315643 (CHEMBL1091268 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1 Show InChI InChI=1S/C21H17N7O/c1-27-13-16-19(25-27)24-21(22-17(29)12-14-8-4-2-5-9-14)28-20(16)23-18(26-28)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,22,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315626 (2-(4-Chlorophenyl)-7-ethylpyrazolo[4,3-e]1,2,4-tri...) Show SMILES CCn1ncc2c1nc(N)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H12ClN7/c1-2-21-12-10(7-17-21)13-18-11(20-22(13)14(16)19-12)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H2,16,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	565	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315633 (CHEMBL1089904 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1 Show InChI InChI=1S/C20H15N7O/c1-26-12-15-17(24-26)22-20(23-19(28)14-10-6-3-7-11-14)27-18(15)21-16(25-27)13-8-4-2-5-9-13/h2-12H,1H3,(H,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	622	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50315625 (2-(4-Nitrophenyl)-8-methylpyrazolo[4,3-e]1,2,4-tri...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C13H10N8O2/c1-19-6-9-11(17-19)16-13(14)20-12(9)15-10(18-20)7-2-4-8(5-3-7)21(22)23/h2-6H,1H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	655	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315643 (CHEMBL1091268 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1 Show InChI InChI=1S/C21H17N7O/c1-27-13-16-19(25-27)24-21(22-17(29)12-14-8-4-2-5-9-14)28-20(16)23-18(26-28)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,22,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	778	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315627 (2-(4-Chlorophenyl)-8-ethylpyrazolo[4,3-e]1,2,4-tri...) Show SMILES CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H12ClN7/c1-2-21-7-10-12(19-21)18-14(16)22-13(10)17-11(20-22)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	843	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 122 total )  |  Next  |  Last  >>

Jump to: