BindingDB PrimarySearch

BDBM50035451 2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,5-dihydro-1H-1,2,4-triazol-4-ylmethyl]phenyl}-1-(N-t-butoxycarbonyl)benzenesulfonamide::4'-[3-Butyl-5-oxo-1-(2-trifluoromet hyl-phenyl)-15-dihydro-[124]tria zol-4-ylmethyl]-biphenyl-2-sulfonic acid t-butyloxycarbonylamide (L-162234)::4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2-tert-butoxycarbonyl)amide::4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid amide-N-carbonyoxylterbutyl::5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl]biphenyl-4yl]methyl]-2-[2-trifluoromethyl-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one::CHEMBL292150::L-162234

SMILES: CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C

InChI Key: InChIKey=IVFMKMCSJZZCKV-UHFFFAOYSA-N

Data: 1 KI 10 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50035451
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Angiotensin II AT2 (RAT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	17	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 2				J Med Chem 43: 1993-2006 (2000) BindingDB Entry DOI: 10.7270/Q2MP53ZS
NeoGenesis, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.450	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of Angiotensin II receptor, type 1				J Med Chem 39: 625-56 (1996) Article DOI: 10.1021/jm9504722 BindingDB Entry DOI: 10.7270/Q29P3299
DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in rabbit aorta membranes				Citation and Details Article DOI: 10.1007/s00044-013-0831-x BindingDB Entry DOI: 10.7270/Q2C82BRJ
TBA					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT2 receptor from rat midbrain				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity at Angiotensin II type 2 receptor.				J Med Chem 39: 625-56 (1996) Article DOI: 10.1021/jm9504722 BindingDB Entry DOI: 10.7270/Q29P3299
DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.450	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 2 binding				J Med Chem 43: 1993-2006 (2000) BindingDB Entry DOI: 10.7270/Q2MP53ZS
NeoGenesis, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.450	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1 receptor from rabbit aorta				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
TBA Curated by ChEMBL					More data for this Ligand-Target Pair