BDBM16701 (2S)-2-{[(2S)-2-({3-[(Z)-2-[(1S,2S)-2-methylcyclopropyl]ethenyl]-5-(N-methylmethanesulfonamido)phenyl}formamido)-3-phenylpropyl]amino}-N-(2-methylpropyl)propanamide::N-[(1S)-1-benzyl-2-({(1S)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl}amino)ethyl]-3-{(Z)-2-[(1S,2S)-2-methylcyclopropyl]ethenyl}-5-[methyl(methylsulfonyl)amino]benzamide::Reduced amide inhibitor 9

SMILES CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(\C=C/[C@H]2C[C@@H]2C)cc(c1)N(C)S(C)(=O)=O

InChI Key InChIKey=WIUYVKADJGANRE-BXCURVOVSA-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 = 16701   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM16701((2S)-2-{[(2S)-2-({3-[(Z)-2-[(1S,2S)-2-methylcyclop...)
Affinity DataIC50:  20nMpH: 4.5 T: 2°CAssay Description:The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed