BDBM50307354 CHEMBL591700::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-4-cyclopropylmethoxy-1-(3,5-difluorophenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonylmethyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide

SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCC1CC1)C(=O)NCc1ccccc1

InChI Key InChIKey=BXUWRSJLPOCKMA-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 = 50307354   

TargetBeta-secretase 1(Human)
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307354(N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpro...)
Affinity DataKi:  1.30nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed