Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'metzger' and Initial = 'a'   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16318 (3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...) Show SMILES CNc1nc(Nc2cc(ccc2C)C(=O)NOC)c(C#N)c(n1)N(C)CC(C)(C)C Show InChI InChI=1S/C21H29N7O2/c1-13-8-9-14(19(29)27-30-7)10-16(13)24-17-15(11-22)18(26-20(23-5)25-17)28(6)12-21(2,3)4/h8-10H,12H2,1-7H3,(H,27,29)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0470	-58.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16319 (3-({2-amino-5-cyano-6-[(2,2-dimethylpropyl)(methyl...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N)nc(N(C)CC(C)(C)C)c2C#N)c1 Show InChI InChI=1S/C20H27N7O2/c1-12-7-8-13(18(28)26-29-6)9-15(12)23-16-14(10-21)17(25-19(22)24-16)27(5)11-20(2,3)4/h7-9H,11H2,1-6H3,(H,26,28)(H3,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0500	-58.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16329 (3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...) Show SMILES CC(C)Nc1nc(N)nc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N Show InChI InChI=1S/C19H20N8O2/c1-10(2)22-16-13(9-20)17(26-19(21)25-16)23-14-8-12(5-4-11(14)3)18(28)24-15-6-7-29-27-15/h4-8,10H,1-3H3,(H,24,27,28)(H4,21,22,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0570	-57.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16317 (3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(N(C)CC(C)(C)C)c2C#N)N2CCCN(C)CC2)c1 Show InChI InChI=1S/C26H38N8O2/c1-18-9-10-19(24(35)31-36-7)15-21(18)28-22-20(16-27)23(33(6)17-26(2,3)4)30-25(29-22)34-12-8-11-32(5)13-14-34/h9-10,15H,8,11-14,17H2,1-7H3,(H,31,35)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0570	-57.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16320 (3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]p...) Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(N(C)CC(C)(C)C)c2C#N)c1 Show InChI InChI=1S/C20H26N6O2/c1-13-7-8-14(19(27)25-28-6)9-16(13)24-17-15(10-21)18(23-12-22-17)26(5)11-20(2,3)4/h7-9,12H,11H2,1-6H3,(H,25,27)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	-55.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16330 (3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-...) Show SMILES Cc1ccc(cc1Nc1nc(N)nc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1 Show InChI InChI=1S/C21H22N8O2/c1-12-6-7-13(20(30)26-17-8-9-31-29-17)10-16(12)25-19-15(11-22)18(27-21(23)28-19)24-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,26,29,30)(H4,23,24,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.160	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16325 (3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...) Show SMILES CC(C)Nc1ncnc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N Show InChI InChI=1S/C19H19N7O2/c1-11(2)23-17-14(9-20)18(22-10-21-17)24-15-8-13(5-4-12(15)3)19(27)25-16-6-7-28-26-16/h4-8,10-11H,1-3H3,(H,25,26,27)(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.410	-53.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16324 (3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...) Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1 Show InChI InChI=1S/C19H22N6O2/c1-12-7-8-13(19(26)25-27-2)9-16(12)24-18-15(10-20)17(21-11-22-18)23-14-5-3-4-6-14/h7-9,11,14H,3-6H2,1-2H3,(H,25,26)(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.420	-53.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16323 (3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...) Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1 Show InChI InChI=1S/C17H20N6O2/c1-10(2)21-15-13(8-18)16(20-9-19-15)22-14-7-12(6-5-11(14)3)17(24)23-25-4/h5-7,9-10H,1-4H3,(H,23,24)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.610	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16322 (3-{[5-cyano-6-(propylamino)pyrimidin-4-yl]amino}-N...) Show SMILES CCCNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N Show InChI InChI=1S/C17H20N6O2/c1-4-7-19-15-13(9-18)16(21-10-20-15)22-14-8-12(6-5-11(14)2)17(24)23-25-3/h5-6,8,10H,4,7H2,1-3H3,(H,23,24)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.970	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16331 (3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...) Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC(C)C)c2C#N)c1 Show InChI InChI=1S/C21H25N9O/c1-5-30-17(8-9-24-30)27-20(31)14-7-6-13(4)16(10-14)26-19-15(11-22)18(25-12(2)3)28-21(23)29-19/h6-10,12H,5H2,1-4H3,(H,27,31)(H4,23,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	-49.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16326 (3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...) Show SMILES Cc1ccc(cc1Nc1ncnc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1 Show InChI InChI=1S/C21H21N7O2/c1-13-6-7-14(21(29)27-18-8-9-30-28-18)10-17(13)26-20-16(11-22)19(23-12-24-20)25-15-4-2-3-5-15/h6-10,12,15H,2-5H2,1H3,(H,27,28,29)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16332 (3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-...) Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC3CCCC3)c2C#N)c1 Show InChI InChI=1S/C23H27N9O/c1-3-32-19(10-11-26-32)29-22(33)15-9-8-14(2)18(12-15)28-21-17(13-24)20(30-23(25)31-21)27-16-6-4-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,29,33)(H4,25,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	-49.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16316 (3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1 Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	-47.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254456 (CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266051 ((4-(furan-2-yl)-2-(2-(thiophen-2-yl)ethylamino)thi...) Show SMILES O=C(c1sc(NCCc2cccs2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C20H16N2O2S2/c23-18(14-6-2-1-3-7-14)19-17(16-9-4-12-24-16)22-20(26-19)21-11-10-15-8-5-13-25-15/h1-9,12-13H,10-11H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16328 (3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...) Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1 Show InChI InChI=1S/C23H26N8O/c1-3-31-20(10-11-27-31)30-23(32)16-9-8-15(2)19(12-16)29-22-18(13-24)21(25-14-26-22)28-17-6-4-5-7-17/h8-12,14,17H,3-7H2,1-2H3,(H,30,32)(H2,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-44.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16327 (3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...) Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1 Show InChI InChI=1S/C21H24N8O/c1-5-29-18(8-9-25-29)28-21(30)15-7-6-14(4)17(10-15)27-20-16(11-22)19(23-12-24-20)26-13(2)3/h6-10,12-13H,5H2,1-4H3,(H,28,30)(H2,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16321 (3-{[5-cyano-6-(methylamino)pyrimidin-4-yl]amino}-N...) Show SMILES CNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N Show InChI InChI=1S/C15H16N6O2/c1-9-4-5-10(15(22)21-23-3)6-12(9)20-14-11(7-16)13(17-2)18-8-19-14/h4-6,8H,1-3H3,(H,21,22)(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-44.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254457 (CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254458 (CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254456 (CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266020 ((4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5...) Show SMILES O=C(c1sc(NCc2ccco2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C19H14N2O3S/c22-17(13-6-2-1-3-7-13)18-16(15-9-5-11-24-15)21-19(25-18)20-12-14-8-4-10-23-14/h1-11H,12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266021 ((4-(furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazo...) Show SMILES O=C(c1sc(NCc2cccs2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C19H14N2O2S2/c22-17(13-6-2-1-3-7-13)18-16(15-9-4-10-23-15)21-19(25-18)20-12-14-8-5-11-24-14/h1-11H,12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266022 ((2-(2-(benzo[d][1,3]dioxol-5-yl)ethylamino)-4-(fur...) Show SMILES O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C23H18N2O4S/c26-21(16-5-2-1-3-6-16)22-20(18-7-4-12-27-18)25-23(30-22)24-11-10-15-8-9-17-19(13-15)29-14-28-17/h1-9,12-13H,10-11,14H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266019 ((2-(3,4-difluorobenzylamino)-4-(furan-2-yl)thiazol...) Show SMILES Fc1ccc(CNc2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)cc1F Show InChI InChI=1S/C21H14F2N2O2S/c22-15-9-8-13(11-16(15)23)12-24-21-25-18(17-7-4-10-27-17)20(28-21)19(26)14-5-2-1-3-6-14/h1-11H,12H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265981 ((4-(furan-2-yl)-2-(methylamino)thiazol-5-yl)(pheny...) Show SMILES CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C15H12N2O2S/c1-16-15-17-12(11-8-5-9-19-11)14(20-15)13(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266084 ((2-(benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)t...) Show SMILES O=C(c1sc(nc1-c1ccco1)N(Cc1ccco1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H20N2O3S/c29-24(20-11-5-2-6-12-20)25-23(22-14-8-16-31-22)27-26(32-25)28(18-21-13-7-15-30-21)17-19-9-3-1-4-10-19/h1-16H,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265982 ((4-(furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phe...) Show SMILES CC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H18N2O2S/c1-12(2)11-19-18-20-15(14-9-6-10-22-14)17(23-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254459 (CHEMBL512111 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OCC(C)C Show InChI InChI=1S/C30H38ClN3O5S/c1-22(2)21-39-28-15-12-24(16-29(28)38-5)19-34(20-30(35)32-17-25-8-6-7-9-27(25)31)40(36,37)26-13-10-23(11-14-26)18-33(3)4/h6-16,22H,17-21H2,1-5H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266018 ((2-(1-(2-fluorobenzyl)piperidin-4-ylamino)-4-(fura...) Show SMILES Fc1ccccc1CN1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H24FN3O2S/c27-21-10-5-4-9-19(21)17-30-14-12-20(13-15-30)28-26-29-23(22-11-6-16-32-22)25(33-26)24(31)18-7-2-1-3-8-18/h1-11,16,20H,12-15,17H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266052 ((4-(furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-y...) Show SMILES O=C(c1sc(NCCCc2ccccc2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C23H20N2O2S/c26-21(18-12-5-2-6-13-18)22-20(19-14-8-16-27-19)25-23(28-22)24-15-7-11-17-9-3-1-4-10-17/h1-6,8-10,12-14,16H,7,11,15H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254460 (CHEMBL499999 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 Show InChI InChI=1S/C32H41ClN4O4S/c1-25(2)24-41-29-12-8-27(9-13-29)22-37(23-32(38)34-20-28-6-4-5-7-31(28)33)42(39,40)30-14-10-26(11-15-30)21-36-18-16-35(3)17-19-36/h4-15,25H,16-24H2,1-3H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254461 (CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265984 ((4-(furan-2-yl)-2-(2-methoxypropylamino)thiazol-5-...) Show SMILES COC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H18N2O3S/c1-12(22-2)11-19-18-20-15(14-9-6-10-23-14)17(24-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266055 ((4-(furan-2-yl)-2-((furan-2-ylmethyl)(methyl)amino...) Show SMILES CN(Cc1ccco1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-22(13-15-9-5-11-24-15)20-21-17(16-10-6-12-25-16)19(26-20)18(23)14-7-3-2-4-8-14/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254457 (CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265983 ((4-(furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-y...) Show SMILES COCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C17H16N2O3S/c1-21-11-9-18-17-19-14(13-8-5-10-22-13)16(23-17)15(20)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254462 (CHEMBL468492 | N-(2-methoxyphenethyl)-2-(N-(2-(ben...) Show SMILES COc1ccccc1CCNC(=O)CN(CCOc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H26Cl2N2O7S/c1-34-22-5-3-2-4-18(22)10-11-29-26(31)16-30(38(32,33)25-9-6-19(27)14-21(25)28)12-13-35-20-7-8-23-24(15-20)37-17-36-23/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254458 (CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265985 (CHEMBL460172 | N-(2-(5-benzoyl-4-(furan-2-yl)thiaz...) Show SMILES CC(=O)NCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H17N3O3S/c1-12(22)19-9-10-20-18-21-15(14-8-5-11-24-14)17(25-18)16(23)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254463 (3-(2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yl...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H24Cl2N2O6S/c23-17-5-7-20(19(24)13-17)33(30,31)26(14-21(27)25-9-8-22(28)29)10-11-32-18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13H,1-3,8-11,14H2,(H,25,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265986 (1-(4-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)pi...) Show SMILES CC(=O)N1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c1-14(25)24-11-9-16(10-12-24)22-21-23-18(17-8-5-13-27-17)20(28-21)19(26)15-6-3-2-4-7-15/h2-8,13,16H,9-12H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254461 (CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	463	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254459 (CHEMBL512111 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OCC(C)C Show InChI InChI=1S/C30H38ClN3O5S/c1-22(2)21-39-28-15-12-24(16-29(28)38-5)19-34(20-30(35)32-17-25-8-6-7-9-27(25)31)40(36,37)26-13-10-23(11-14-26)18-33(3)4/h6-16,22H,17-21H2,1-5H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	497	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254508 (3-(2-(2,4-dichloro-N-(2-(3-chlorophenoxy)ethyl)phe...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl3N2O6S/c20-13-2-1-3-15(10-13)30-9-8-24(12-18(25)23-7-6-19(26)27)31(28,29)17-5-4-14(21)11-16(17)22/h1-5,10-11H,6-9,12H2,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254632 (2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yloxy...) Show SMILES COCCCNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H28Cl2N2O5S/c1-31-12-3-10-26-23(28)16-27(33(29,30)22-9-7-19(24)15-21(22)25)11-13-32-20-8-6-17-4-2-5-18(17)14-20/h6-9,14-15H,2-5,10-13,16H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50265986 (1-(4-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)pi...) Show SMILES CC(=O)N1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c1-14(25)24-11-9-16(10-12-24)22-21-23-18(17-8-5-13-27-17)20(28-21)19(26)15-6-3-2-4-7-15/h2-8,13,16H,9-12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50265982 ((4-(furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phe...) Show SMILES CC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H18N2O2S/c1-12(2)11-19-18-20-15(14-9-6-10-22-14)17(23-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266020 ((4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5...) Show SMILES O=C(c1sc(NCc2ccco2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C19H14N2O3S/c22-17(13-6-2-1-3-7-13)18-16(15-9-5-11-24-15)21-19(25-18)20-12-14-8-4-10-23-14/h1-11H,12H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair

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