BDBM50294612 CHEMBL553457::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-hydroxyethyl)-N3-((R)-1-phenylethyl)isophthalamide

SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)O)c1

InChI Key InChIKey=CCXLPKUGGVFGGS-UHFFFAOYSA-N

Data  2 IC50

  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 = 50294612   

TargetBeta-secretase 1(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50294612(N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-...)
Affinity DataIC50: 29nMAssay Description:Binding affinity to BACE assessed as displacement of [3H]BMS-599240More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50294612(N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-...)
Affinity DataIC50: 92nMAssay Description:Inhibition of BACE1 in human HEK293 cells overexpressing APP with Swedish mutation assessed as inhibition of amyloid beta 40 productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed