BDBM50030683 CHEMBL121907::N-Butyl-3-[4-(3-fluoro-2'-(N-t-butyloxycarbonyl)-Sulfanamido-4-ylmethyl)-5-oxo-3-propyl-4,5-dihydro-[1,2,4]triazol-1-yl]-4-trifluoromethyl-benzamide

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

InChI Key: InChIKey=GQEYIVWYNBRECD-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 = 50030683   

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)	BDBM50030683 (CHEMBL121907 | N-Butyl-3-[4-(3-fluoro-2'-(N-t-buty...) Show SMILES CCCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F Show InChI InChI=1S/C35H39F4N5O6S/c1-6-8-18-40-31(45)23-16-17-26(35(37,38)39)28(20-23)44-33(47)43(30(41-44)11-7-2)21-24-15-14-22(19-27(24)36)25-12-9-10-13-29(25)51(48,49)42-32(46)50-34(3,4)5/h9-10,12-17,19-20H,6-8,11,18,21H2,1-5H3,(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	0.440	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)	BDBM50030683 (CHEMBL121907 | N-Butyl-3-[4-(3-fluoro-2'-(N-t-buty...) Show SMILES CCCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F Show InChI InChI=1S/C35H39F4N5O6S/c1-6-8-18-40-31(45)23-16-17-26(35(37,38)39)28(20-23)44-33(47)43(30(41-44)11-7-2)21-24-15-14-22(19-27(24)36)25-12-9-10-13-29(25)51(48,49)42-32(46)50-34(3,4)5/h9-10,12-17,19-20H,6-8,11,18,21H2,1-5H3,(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	0.290	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))	BDBM50030683 (CHEMBL121907 | N-Butyl-3-[4-(3-fluoro-2'-(N-t-buty...) Show SMILES CCCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F Show InChI InChI=1S/C35H39F4N5O6S/c1-6-8-18-40-31(45)23-16-17-26(35(37,38)39)28(20-23)44-33(47)43(30(41-44)11-7-2)21-24-15-14-22(19-27(24)36)25-12-9-10-13-29(25)51(48,49)42-32(46)50-34(3,4)5/h9-10,12-17,19-20H,6-8,11,18,21H2,1-5H3,(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	0.880	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 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)	BDBM50030683 (CHEMBL121907 | N-Butyl-3-[4-(3-fluoro-2'-(N-t-buty...) Show SMILES CCCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F Show InChI InChI=1S/C35H39F4N5O6S/c1-6-8-18-40-31(45)23-16-17-26(35(37,38)39)28(20-23)44-33(47)43(30(41-44)11-7-2)21-24-15-14-22(19-27(24)36)25-12-9-10-13-29(25)51(48,49)42-32(46)50-34(3,4)5/h9-10,12-17,19-20H,6-8,11,18,21H2,1-5H3,(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	0.441	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)	BDBM50030683 (CHEMBL121907 | N-Butyl-3-[4-(3-fluoro-2'-(N-t-buty...) Show SMILES CCCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F Show InChI InChI=1S/C35H39F4N5O6S/c1-6-8-18-40-31(45)23-16-17-26(35(37,38)39)28(20-23)44-33(47)43(30(41-44)11-7-2)21-24-15-14-22(19-27(24)36)25-12-9-10-13-29(25)51(48,49)42-32(46)50-34(3,4)5/h9-10,12-17,19-20H,6-8,11,18,21H2,1-5H3,(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	0.190	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 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)	BDBM50030683 (CHEMBL121907 | N-Butyl-3-[4-(3-fluoro-2'-(N-t-buty...) Show SMILES CCCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F Show InChI InChI=1S/C35H39F4N5O6S/c1-6-8-18-40-31(45)23-16-17-26(35(37,38)39)28(20-23)44-33(47)43(30(41-44)11-7-2)21-24-15-14-22(19-27(24)36)25-12-9-10-13-29(25)51(48,49)42-32(46)50-34(3,4)5/h9-10,12-17,19-20H,6-8,11,18,21H2,1-5H3,(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	0.440	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))	BDBM50030683 (CHEMBL121907 | N-Butyl-3-[4-(3-fluoro-2'-(N-t-buty...) Show SMILES CCCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F Show InChI InChI=1S/C35H39F4N5O6S/c1-6-8-18-40-31(45)23-16-17-26(35(37,38)39)28(20-23)44-33(47)43(30(41-44)11-7-2)21-24-15-14-22(19-27(24)36)25-12-9-10-13-29(25)51(48,49)42-32(46)50-34(3,4)5/h9-10,12-17,19-20H,6-8,11,18,21H2,1-5H3,(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	2.60	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