BDBM50302853 CHEMBL569609::trans-N-((2S,3R)-4-(1-(3-tert-butylphenyl)-4-(hydroxymethyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide

SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](CO)CC1)c1cccc(c1)C(C)(C)C

InChI Key InChIKey=UITAFDSBPXSWKK-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 = 50302853   

TargetBeta-secretase 1(Human)
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50302853(trans-N-((2S,3R)-4-(1-(3-tert-butylphenyl)-4-(hydr...)
Affinity DataIC50: 38nMAssay Description:Inhibition of recombinant BACE1 expressed in Escherichia coli after 3 hrs by oregon green based fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMed
TargetCathepsin D(Human)
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50302853(trans-N-((2S,3R)-4-(1-(3-tert-butylphenyl)-4-(hydr...)
Affinity DataIC50: 330nMAssay Description:Inhibition of cathepsin D assessed as reduction in polarization after 110 mins by oregon green based fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMed