BDBM50039865 4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (3-methylene-bicyclo[2.2.1]heptane-2-carbonyl)-amide::CHEMBL330464

SMILES: CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1C2CCC(C2)C1=C

InChI Key: InChIKey=KSDBMTZDZQJXHH-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 = 50039865   

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)	BDBM50039865 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1C2CCC(C2)C1=C |TLB:37:39:44:41.42,THB:46:45:44:41.42| Show InChI InChI=1S/C35H35F3N4O4S/c1-3-4-13-31-39-42(29-11-7-6-10-28(29)35(36,37)38)34(44)41(31)21-23-14-16-24(17-15-23)27-9-5-8-12-30(27)47(45,46)40-33(43)32-22(2)25-18-19-26(32)20-25/h5-12,14-17,25-26,32H,2-4,13,18-21H2,1H3,(H,40,43)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	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)	BDBM50039865 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1C2CCC(C2)C1=C |TLB:37:39:44:41.42,THB:46:45:44:41.42| Show InChI InChI=1S/C35H35F3N4O4S/c1-3-4-13-31-39-42(29-11-7-6-10-28(29)35(36,37)38)34(44)41(31)21-23-14-16-24(17-15-23)27-9-5-8-12-30(27)47(45,46)40-33(43)32-22(2)25-18-19-26(32)20-25/h5-12,14-17,25-26,32H,2-4,13,18-21H2,1H3,(H,40,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.390	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