BDBM50231939 CHEMBL404144::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-(1-(2,5-dimethyloxazol-4-yl)ethyl)-5-(N-methylmethan-3-ylsulfonamido)isophthalamide

SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2nc(C)oc2C)N(C)S(C)(=O)=O)c1

InChI Key InChIKey=ZVXULOKJHBSMDK-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231939   

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50231939(N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-p...)
Affinity DataKi:  894nMAssay Description:Binding affinity to recombinant memapsin 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed