BDBM50004414 CHEMBL96867::{1-[1-{1-Cyclohexylmethyl-3-[(2-dimethylamino-ethylcarbamoyl)-methylsulfanyl]-2-hydroxy-propylcarbamoyl}-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester; hydrate

SMILES CN(C)CCNC(=O)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key InChIKey=IXXYABZMVOOTJB-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 = 50004414   

TargetRenin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004414(CHEMBL96867 | {1-[1-{1-Cyclohexylmethyl-3-[(2-dime...)
Affinity DataIC50: 161nMAssay Description:Inhibition of human plasma reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed