BDBM50229129 4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethyl]-amide::4-[(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-piperazin-1-ium::4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide::4-methyl-N-((S)-1-oxo-3-phenyl-1-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide::CHEMBL91704::K-777

SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1

InChI Key InChIKey=RHJLQMVZXQKJKB-JDXGNMNLSA-N

Data  12 KI  14 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 = 50229129   

TargetCathepsin S(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of recombinant human Cathepsin S expressed in Escherichia coli using Cbz-Phe-Arg-AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed