BDBM50108539 2-{2-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-propionylamino}-3-phenyl-propionic acid(Ac-Val-Met-Sta-Val-Ala-Ala-Phe-COOH)::CHEMBL2370097

SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=TTWUFVMWZBEZFU-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 50108539   

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50108539(2-{2-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylam...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed