BDBM50320059 CHEMBL1085981::methyl 2-(4-(benzyloxy)-3-((2S)-3-cyclohexyl-2-(5-methyl-2-oxo-6-pentyl-5,6-dihydro-2H-pyran-3-carboxamido)propanamido)-2-oxobutanamido)acetate

SMILES CCCCCC1OC(=O)C(=CC1C)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(COCc1ccccc1)C(=O)C(=O)NCC(=O)OC

InChI Key InChIKey=BWKIVUQLJBPTNN-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 = 50320059   

TargetCathepsin S(Human)
National Tsing Hua University

Curated by ChEMBL
LigandPNGBDBM50320059(methyl 2-(4-(benzyloxy)-3-((2S)-3-cyclohexyl-2-(5-...)
Affinity DataIC50: 42.3nMAssay Description:Inhibition of human recombinant cathepsin S expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed