BDBM16800 (4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4-[(2S)-2-[(2S,4S,5S)-4-hydroxy-5-[2-hydroxy-2-(naphthalen-1-yl)acetamido]-7-methyl-2-(propan-2-yl)octanamido]propanamido]butanoic acid::hydroxyethylene BACE inhibitor 3

SMILES CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=AOHSIJRTXBZIPX-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 = 16800   

TargetBeta-secretase 1(Human)
Elan Pharmaceuticals

LigandPNGBDBM16800((4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4...)
Affinity DataIC50: 7.50E+3nMpH: 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