BDBM50156002 CHEMBL187568::{(S)-[(S)-4-((S)-1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-carbamoyl-methyl}-carbamic acid tert-butyl ester

SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1

InChI Key InChIKey=RCYPYNCVBNOPCN-UHFFFAOYSA-N

Data  1 KI

  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 = 50156002   

TargetBeta-secretase 1(Human)
University of ZüRich

Curated by ChEMBL
LigandPNGBDBM50156002({(S)-[(S)-4-((S)-1-Benzylcarbamoyl-ethylcarbamoyl)...)
Affinity DataKi:  2.24E+4nMAssay Description:Binding affinity towards Beta-secretase determined using continuum electrostatics solvationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed