BDBM16767 4-{[(4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-4-hydroxyhexanamido]methyl}cyclohexane-1-carboxylic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 17

SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CCC(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O

InChI Key InChIKey=ZRWGIFQKLXUXFA-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 = 16767   

TargetBeta-secretase 1(Human)
Elan Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 16767BDBM16767(4-{[(4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropyl...)
Affinity DataIC50: 400nMpH: 4.8 T: 2°CAssay Description:Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2007
Entry Details Article
PubMed