BDBM50156014 CHEMBL361727::{1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propyl}-carbamic acid tert-butyl ester

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

InChI Key InChIKey=QFTDPCREZCGEQF-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 = 50156014   

TargetBeta-secretase 1(Human)
University of ZüRich

Curated by ChEMBL
LigandPNGBDBM50156014({1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylca...)
Affinity DataKi:  59nMAssay 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