BDBM50030695 CHEMBL340632::N-Butyl-3-[3-butyl-4-(3-fluoro-2'-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl]-4-chloro-benzamide

SMILES: CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O

InChI Key: InChIKey=SVFINWJPPDSGLB-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50030695   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50030695 (CHEMBL340632 | N-Butyl-3-[3-butyl-4-(3-fluoro-2'-(...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O Show InChI InChI=1S/C35H41ClFN5O6S/c1-6-8-14-31-39-42(29-21-24(17-18-27(29)36)32(43)38-19-9-7-2)34(45)41(31)22-25-16-15-23(20-28(25)37)26-12-10-11-13-30(26)49(46,47)40-33(44)48-35(3,4)5/h10-13,15-18,20-21H,6-9,14,19,22H2,1-5H3,(H,38,43)(H,40,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50030695 (CHEMBL340632 | N-Butyl-3-[3-butyl-4-(3-fluoro-2'-(...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O Show InChI InChI=1S/C35H41ClFN5O6S/c1-6-8-14-31-39-42(29-21-24(17-18-27(29)36)32(43)38-19-9-7-2)34(45)41(31)22-25-16-15-23(20-28(25)37)26-12-10-11-13-30(26)49(46,47)40-33(44)48-35(3,4)5/h10-13,15-18,20-21H,6-9,14,19,22H2,1-5H3,(H,38,43)(H,40,44)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50030695 (CHEMBL340632 | N-Butyl-3-[3-butyl-4-(3-fluoro-2'-(...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O Show InChI InChI=1S/C35H41ClFN5O6S/c1-6-8-14-31-39-42(29-21-24(17-18-27(29)36)32(43)38-19-9-7-2)34(45)41(31)22-25-16-15-23(20-28(25)37)26-12-10-11-13-30(26)49(46,47)40-33(44)48-35(3,4)5/h10-13,15-18,20-21H,6-9,14,19,22H2,1-5H3,(H,38,43)(H,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50030695 (CHEMBL340632 | N-Butyl-3-[3-butyl-4-(3-fluoro-2'-(...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O Show InChI InChI=1S/C35H41ClFN5O6S/c1-6-8-14-31-39-42(29-21-24(17-18-27(29)36)32(43)38-19-9-7-2)34(45)41(31)22-25-16-15-23(20-28(25)37)26-12-10-11-13-30(26)49(46,47)40-33(44)48-35(3,4)5/h10-13,15-18,20-21H,6-9,14,19,22H2,1-5H3,(H,38,43)(H,40,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.178	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor				Citation and Details Article DOI: 10.1007/s00044-011-9815-x BindingDB Entry DOI: 10.7270/Q2VT1W0S
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50030695 (CHEMBL340632 | N-Butyl-3-[3-butyl-4-(3-fluoro-2'-(...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O Show InChI InChI=1S/C35H41ClFN5O6S/c1-6-8-14-31-39-42(29-21-24(17-18-27(29)36)32(43)38-19-9-7-2)34(45)41(31)22-25-16-15-23(20-28(25)37)26-12-10-11-13-30(26)49(46,47)40-33(44)48-35(3,4)5/h10-13,15-18,20-21H,6-9,14,19,22H2,1-5H3,(H,38,43)(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor type 2 in human adrenal membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50030695 (CHEMBL340632 | N-Butyl-3-[3-butyl-4-(3-fluoro-2'-(...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O Show InChI InChI=1S/C35H41ClFN5O6S/c1-6-8-14-31-39-42(29-21-24(17-18-27(29)36)32(43)38-19-9-7-2)34(45)41(31)22-25-16-15-23(20-28(25)37)26-12-10-11-13-30(26)49(46,47)40-33(44)48-35(3,4)5/h10-13,15-18,20-21H,6-9,14,19,22H2,1-5H3,(H,38,43)(H,40,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor				Citation and Details Article DOI: 10.1007/s00044-011-9815-x BindingDB Entry DOI: 10.7270/Q2VT1W0S
					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50030695 (CHEMBL340632 | N-Butyl-3-[3-butyl-4-(3-fluoro-2'-(...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O Show InChI InChI=1S/C35H41ClFN5O6S/c1-6-8-14-31-39-42(29-21-24(17-18-27(29)36)32(43)38-19-9-7-2)34(45)41(31)22-25-16-15-23(20-28(25)37)26-12-10-11-13-30(26)49(46,47)40-33(44)48-35(3,4)5/h10-13,15-18,20-21H,6-9,14,19,22H2,1-5H3,(H,38,43)(H,40,44)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair