BDBM16798 (4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4-[(2S)-2-[(2S,4S,5S)-5-[(2S)-2-[(2S)-2-acetamido-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-4-hydroxy-7-methyl-2-(propan-2-yl)octanamido]propanamido]butanoic acid::peptidic hydroxyethylene BACE inhibitor 1

SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[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=MTWXTVPPJSYYJK-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 = 16798   

TargetBeta-secretase 1(Human)
Elan Pharmaceuticals

LigandPNGBDBM16798((4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4...)
Affinity DataIC50: 30nMpH: 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