BDBM50274108 CHEMBL445085::N-[(1S,2S)-3-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-propyl]-5-(methanesulfonyl-methyl-amino)-N0-((R)-1-phenyl-ethyl)-isophthalamide

SMILES CC(C)[C@H](NC(=O)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)C(=O)NCc1ccccc1

InChI Key InChIKey=MQPKSUFTZQEZNO-UHFFFAOYSA-N

Data  1 KI  1 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 = 50274108   

TargetBeta-secretase 1(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274108(N-[(1S,2S)-3-((S)-1-Benzylcarbamoyl-2-methyl-propy...)
Affinity DataIC50: 210nMAssay 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:
1/11/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274108(N-[(1S,2S)-3-((S)-1-Benzylcarbamoyl-2-methyl-propy...)
Affinity DataKi:  570nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed