Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50029360   

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
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50283766 (CHEMBL313868 | N-(3-{3-Butyl-4-[3-fluoro-2'-(2-flu...) Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1F Show InChI InChI=1S/C37H36ClF2N5O5S/c1-4-6-12-35-42-45(33-21-27(41-23(3)46)16-17-30(33)38)37(48)44(35)22-26-15-14-25(20-32(26)40)29-19-24(9-5-2)13-18-34(29)51(49,50)43-36(47)28-10-7-8-11-31(28)39/h7-8,10-11,13-21H,4-6,9,12,22H2,1-3H3,(H,41,46)(H,43,47)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against AT1 receptor from human adrenal tissues.				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50030732 (CHEMBL323506 | N-{3-[3-Butyl-4-(3-fluoro-2'(tert-b...) Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C35H41ClFN5O6S/c1-7-9-11-32-39-42(30-20-26(38-22(3)43)15-16-28(30)36)34(45)41(32)21-25-14-13-24(19-29(25)37)27-18-23(10-8-2)12-17-31(27)49(46,47)40-33(44)48-35(4,5)6/h12-20H,7-11,21H2,1-6H3,(H,38,43)(H,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against AT1 receptor from human adrenal tissues.				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50283765 (CHEMBL321313 | N-{3-[3-Butyl-4-(3-fluoro-2'-(ethyl...) Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OCC Show InChI InChI=1S/C33H37ClFN5O6S/c1-5-8-10-31-37-40(29-19-25(36-21(4)41)14-15-27(29)34)33(43)39(31)20-24-13-12-23(18-28(24)35)26-17-22(9-6-2)11-16-30(26)47(44,45)38-32(42)46-7-3/h11-19H,5-10,20H2,1-4H3,(H,36,41)(H,38,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against AT1 receptor from human adrenal tissues.				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50283763 (CHEMBL321531 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-4-6-12-35-42-45(33-21-27(41-23(3)46)16-17-31(33)39)37(48)44(35)22-26-15-14-25(20-32(26)40)29-19-24(9-5-2)13-18-34(29)51(49,50)43-36(47)28-10-7-8-11-30(28)38/h7-8,10-11,13-21H,4-6,9,12,22H2,1-3H3,(H,41,46)(H,43,47)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against AT1 receptor from human adrenal tissues.				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50283758 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against AT1 receptor from human adrenal tissues.				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50283764 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H39F3N4O5S/c1-6-8-14-30-38-41(28-13-10-9-12-27(28)34(35,36)37)32(43)40(30)22-24-15-18-25(19-16-24)26-21-23(11-7-2)17-20-29(26)47(44,45)39-31(42)46-33(3,4)5/h9-10,12-13,15-21H,6-8,11,14,22H2,1-5H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against AT1 receptor from human adrenal tissues.				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
					More data for this Ligand-Target Pair