BDBM50039864 2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,5-dihydro-1H-1,2,4-triazol-4-ylmethyl]phenyl}-1-(N-isobutoxycarbonyl)benzenesulfonamide::CHEMBL97068

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

InChI Key: InChIKey=LETRMRLPBCPJMA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50039864   

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)	BDBM50039864 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCC(C)C Show InChI InChI=1S/C31H33F3N4O5S/c1-4-5-14-28-35-38(26-12-8-7-11-25(26)31(32,33)34)30(40)37(28)19-22-15-17-23(18-16-22)24-10-6-9-13-27(24)44(41,42)36-29(39)43-20-21(2)3/h6-13,15-18,21H,4-5,14,19-20H2,1-3H3,(H,36,39)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	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
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50039864 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCC(C)C Show InChI InChI=1S/C31H33F3N4O5S/c1-4-5-14-28-35-38(26-12-8-7-11-25(26)31(32,33)34)30(40)37(28)19-22-15-17-23(18-16-22)24-10-6-9-13-27(24)44(41,42)36-29(39)43-20-21(2)3/h6-13,15-18,21H,4-5,14,19-20H2,1-3H3,(H,36,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.420	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