BDBM50274092 4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenylethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-methyl]-benzoic acid methyl ester::CHEMBL455548

SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc1

InChI Key InChIKey=MRZRLAFQWPGOFA-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 = 50274092   

TargetBeta-secretase 1(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274092(4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...)
Affinity DataIC50: 200nMAssay 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
LigandPNGBDBM50274092(4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...)
Affinity DataKi:  730nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed