BDBM50231936 CHEMBL253931::N1-((2R,3S)-1-(3-methoxybenzylamino)-2-hydroxy-5-methylhexan-3-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide

SMILES COc1cccc(CNC[C@@H](O)[C@H](CC(C)C)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1

InChI Key InChIKey=BKBCKCGJQYFJJC-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231936   

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50231936(N1-((2R,3S)-1-(3-methoxybenzylamino)-2-hydroxy-5-m...)
Affinity DataKi:  916nMAssay 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