BDBM50030689 CHEMBL125008::N-{4-Bromo-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]-phenyl}-benzamide

SMILES: CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C

InChI Key: InChIKey=HUYZFSOAXSLWIU-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 = 50030689   

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 AT2 (RAT)	BDBM50030689 (CHEMBL125008 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...) Show SMILES CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H37BrFN5O6S/c1-5-6-16-33-41-44(31-22-27(19-20-29(31)38)40-34(45)24-12-8-7-9-13-24)36(47)43(33)23-26-18-17-25(21-30(26)39)28-14-10-11-15-32(28)51(48,49)42-35(46)50-37(2,3)4/h7-15,17-22H,5-6,16,23H2,1-4H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.240	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
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50030689 (CHEMBL125008 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...) Show SMILES CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H37BrFN5O6S/c1-5-6-16-33-41-44(31-22-27(19-20-29(31)38)40-34(45)24-12-8-7-9-13-24)36(47)43(33)23-26-18-17-25(21-30(26)39)28-14-10-11-15-32(28)51(48,49)42-35(46)50-37(2,3)4/h7-15,17-22H,5-6,16,23H2,1-4H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.190	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 receptor (Homo sapiens (Human))	BDBM50030689 (CHEMBL125008 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...) Show SMILES CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H37BrFN5O6S/c1-5-6-16-33-41-44(31-22-27(19-20-29(31)38)40-34(45)24-12-8-7-9-13-24)36(47)43(33)23-26-18-17-25(21-30(26)39)28-14-10-11-15-32(28)51(48,49)42-35(46)50-37(2,3)4/h7-15,17-22H,5-6,16,23H2,1-4H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.10	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)	BDBM50030689 (CHEMBL125008 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...) Show SMILES CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H37BrFN5O6S/c1-5-6-16-33-41-44(31-22-27(19-20-29(31)38)40-34(45)24-12-8-7-9-13-24)36(47)43(33)23-26-18-17-25(21-30(26)39)28-14-10-11-15-32(28)51(48,49)42-35(46)50-37(2,3)4/h7-15,17-22H,5-6,16,23H2,1-4H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.190	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)	BDBM50030689 (CHEMBL125008 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...) Show SMILES CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H37BrFN5O6S/c1-5-6-16-33-41-44(31-22-27(19-20-29(31)38)40-34(45)24-12-8-7-9-13-24)36(47)43(33)23-26-18-17-25(21-30(26)39)28-14-10-11-15-32(28)51(48,49)42-35(46)50-37(2,3)4/h7-15,17-22H,5-6,16,23H2,1-4H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.540	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 type 1a (AT-1a) receptor (RABBIT)	BDBM50030689 (CHEMBL125008 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...) Show SMILES CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H37BrFN5O6S/c1-5-6-16-33-41-44(31-22-27(19-20-29(31)38)40-34(45)24-12-8-7-9-13-24)36(47)43(33)23-26-18-17-25(21-30(26)39)28-14-10-11-15-32(28)51(48,49)42-35(46)50-37(2,3)4/h7-15,17-22H,5-6,16,23H2,1-4H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.190	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))	BDBM50030689 (CHEMBL125008 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...) Show SMILES CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H37BrFN5O6S/c1-5-6-16-33-41-44(31-22-27(19-20-29(31)38)40-34(45)24-12-8-7-9-13-24)36(47)43(33)23-26-18-17-25(21-30(26)39)28-14-10-11-15-32(28)51(48,49)42-35(46)50-37(2,3)4/h7-15,17-22H,5-6,16,23H2,1-4H3,(H,40,45)(H,42,46)	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	0.190	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