BDBM50312542 CHEMBL1076908::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-benzyloxymethyl)-2-hydroxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-methyl-isophthalamide

SMILES CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)N(C)S(C)(=O)=O

InChI Key InChIKey=GVKYDQWBJNYKLF-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 = 50312542   

TargetBeta-secretase 1(Human)
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312542(N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpro...)
Affinity DataIC50: 1.26E+3nMAssay Description:Inhibition of BACE1 after 30 mins by homogeneous time resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312542(N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpro...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human liver cathepsin D after 20 mins by homogeneous time resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed