BDBM50047810 CHEMBL348149::N-[4-(3-Propylsulfanyl-5-trifluoromethyl-[1,2,4]triazol-4-ylmethyl)-phenyl]-phthalamic acid

SMILES: CCCSc1nnc(n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1)C(F)(F)F

InChI Key: InChIKey=KXTLCOJNWDVUML-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 = 50047810   

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)	BDBM50047810 (CHEMBL348149 | N-[4-(3-Propylsulfanyl-5-trifluorom...) Show SMILES CCCSc1nnc(n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1)C(F)(F)F Show InChI InChI=1S/C21H19F3N4O3S/c1-2-11-32-20-27-26-19(21(22,23)24)28(20)12-13-7-9-14(10-8-13)25-17(29)15-5-3-4-6-16(15)18(30)31/h3-10H,2,11-12H2,1H3,(H,25,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in Oryctolagus cuniculus (rabbit) aorta				Citation and Details Article DOI: 10.1007/s00044-011-9756-4 BindingDB Entry DOI: 10.7270/Q2833VXQ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50047810 (CHEMBL348149 | N-[4-(3-Propylsulfanyl-5-trifluorom...) Show SMILES CCCSc1nnc(n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1)C(F)(F)F Show InChI InChI=1S/C21H19F3N4O3S/c1-2-11-32-20-27-26-19(21(22,23)24)28(20)12-13-7-9-14(10-8-13)25-17(29)15-5-3-4-6-16(15)18(30)31/h3-10H,2,11-12H2,1H3,(H,25,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1				J Med Chem 36: 591-609 (1993) BindingDB Entry DOI: 10.7270/Q2P55MKH
					More data for this Ligand-Target Pair