BDBM50030720 CHEMBL122158::N-{3-[4-(3-Fluoro-2'-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-3-propyl-4,5-dihydro-[1,2,4]triazol-1-yl]-4-trifluoromethyl-phenyl}-benzamide

SMILES: CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C

InChI Key: InChIKey=YTULTWSYNAMEQG-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 = 50030720   

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)	BDBM50030720 (CHEMBL122158 | N-{3-[4-(3-Fluoro-2'-(N-t-butyloxyc...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H35F4N5O6S/c1-5-11-32-43-46(30-21-26(18-19-28(30)37(39,40)41)42-33(47)23-12-7-6-8-13-23)35(49)45(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)53(50,51)44-34(48)52-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,42,47)(H,44,48)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.380	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)	BDBM50030720 (CHEMBL122158 | N-{3-[4-(3-Fluoro-2'-(N-t-butyloxyc...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H35F4N5O6S/c1-5-11-32-43-46(30-21-26(18-19-28(30)37(39,40)41)42-33(47)23-12-7-6-8-13-23)35(49)45(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)53(50,51)44-34(48)52-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,42,47)(H,44,48)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	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 AT2 (RAT)	BDBM50030720 (CHEMBL122158 | N-{3-[4-(3-Fluoro-2'-(N-t-butyloxyc...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H35F4N5O6S/c1-5-11-32-43-46(30-21-26(18-19-28(30)37(39,40)41)42-33(47)23-12-7-6-8-13-23)35(49)45(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)53(50,51)44-34(48)52-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,42,47)(H,44,48)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	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)	BDBM50030720 (CHEMBL122158 | N-{3-[4-(3-Fluoro-2'-(N-t-butyloxyc...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H35F4N5O6S/c1-5-11-32-43-46(30-21-26(18-19-28(30)37(39,40)41)42-33(47)23-12-7-6-8-13-23)35(49)45(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)53(50,51)44-34(48)52-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,42,47)(H,44,48)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.380	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))	BDBM50030720 (CHEMBL122158 | N-{3-[4-(3-Fluoro-2'-(N-t-butyloxyc...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H35F4N5O6S/c1-5-11-32-43-46(30-21-26(18-19-28(30)37(39,40)41)42-33(47)23-12-7-6-8-13-23)35(49)45(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)53(50,51)44-34(48)52-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,42,47)(H,44,48)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30	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)	BDBM50030720 (CHEMBL122158 | N-{3-[4-(3-Fluoro-2'-(N-t-butyloxyc...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H35F4N5O6S/c1-5-11-32-43-46(30-21-26(18-19-28(30)37(39,40)41)42-33(47)23-12-7-6-8-13-23)35(49)45(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)53(50,51)44-34(48)52-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,42,47)(H,44,48)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.380	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))	BDBM50030720 (CHEMBL122158 | N-{3-[4-(3-Fluoro-2'-(N-t-butyloxyc...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H35F4N5O6S/c1-5-11-32-43-46(30-21-26(18-19-28(30)37(39,40)41)42-33(47)23-12-7-6-8-13-23)35(49)45(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)53(50,51)44-34(48)52-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,42,47)(H,44,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.380	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