BDBM50035431 5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-(2-trifluoromethyl-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one::5-Butyl-4-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-(2-trifluoromethyl-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one::CHEMBL19018

SMILES: CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

InChI Key: InChIKey=DWXCNNUZEBMCMR-UHFFFAOYSA-N

Data: 1 KI  10 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 11 hits for monomerid = 50035431   

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
Type-1 angiotensin II receptor (RABBIT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeoGenesis, Inc. Curated by ChEMBL					Assay Description Binding affinity to Angiotensin II receptor, type 1				J Med Chem 43: 1993-2006 (2000) BindingDB Entry DOI: 10.7270/Q2MP53ZS
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.780	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 rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...				J Med Chem 37: 4464-78 (1995) BindingDB Entry DOI: 10.7270/Q2WD3ZK5
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against angiotensin II (AT2) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a rat mid b...				J Med Chem 37: 4464-78 (1995) BindingDB Entry DOI: 10.7270/Q2WD3ZK5
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	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 rat midbrain AT2 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at angiotensin 2 type-1 receptor in Oryctolagus cuniculus (rabbit) aorta in presence of bovine serum albumin				Citation and Details Article DOI: 10.1007/s00044-009-9197-5 BindingDB Entry DOI: 10.7270/Q2H41V9D
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin AT1 receptor in rabbit aortic membranes				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeoGenesis, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 binding				J Med Chem 43: 1993-2006 (2000) BindingDB Entry DOI: 10.7270/Q2MP53ZS
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at angiotensin 2 type-1 receptor in Oryctolagus cuniculus (rabbit) aorta in presence of bovine serum albumin				Citation and Details Article DOI: 10.1007/s00044-009-9197-5 BindingDB Entry DOI: 10.7270/Q2H41V9D
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1				Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035431 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...				J Med Chem 36: 2558-68 (1993) BindingDB Entry DOI: 10.7270/Q2KP817C
					More data for this Ligand-Target Pair