BDBM50302871 CHEMBL582817::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(thiophen-2-ylamino)piperidin-3-ylamino)-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](Nc2cccs2)NC1)c1cccc(c1)C(C)(C)C

InChI Key InChIKey=CJNFIXOAWVPWLI-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50302871   

TargetBeta-secretase 1(Human)
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50302871(N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(th...)
Affinity DataIC50: 85nMAssay 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
LigandPNGBDBM50302871(N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(th...)
Affinity DataIC50: 3.10E+3nMAssay 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