BDBM50313798 (2R,4S,5S)-5-((S)-2-((S)-2-acetamido-4-methylpentanamido)-4-(methylthio)butanamido)-N-butyl-4-hydroxy-2,7-dimethyloctanamide::CHEMBL1097361::N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide

SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O

InChI Key InChIKey=PEWRQHFGBBTOMS-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50313798   

TargetBeta-secretase 1(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM50313798(N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-h...)
Affinity DataIC50: 53nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM50313798(N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-h...)
Affinity DataIC50: 9nMAssay Description:Inhibition of Cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed