BDBM50006424 CHEMBL63434::{1-[1-[1-Cyclohexylmethyl-2-hydroxy-3-(2-methyl-5-trifluoromethyl-2H-[1,2,4]triazol-3-ylsulfanyl)-propylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester; hydrate

SMILES Cn1nc(nc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(F)(F)F

InChI Key InChIKey=CSYYDFVLZJVDCW-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006424   

TargetRenin(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006424({1-[1-[1-Cyclohexylmethyl-2-hydroxy-3-(2-methyl-5-...)
Affinity DataIC50: 392nMAssay Description:The compound was tested in vitro for inhibition of human plasma renin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed