BDBM50307359 CHEMBL591371::N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylamino)-5-(benzyloxy)-1-(3,5-difluorophenoxy)-3-hydroxy-6-oxohexan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)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)OCc1ccccc1)C(=O)NCc1ccccc1

InChI Key InChIKey=OTPRWIGEEPJUFE-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50307359   

TargetBeta-secretase 1(Human)
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307359(N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-o...)
Affinity DataKi:  20nMAssay 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
TargetCathepsin D(Human)
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307359(N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-o...)
Affinity DataKi:  62nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed