BDBM50112851 3-((cyclopentylaminocarbonothioyl)hydrazono]methyl)-1,9,11,14-tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-5,6,8,13-tetrahydro-benzo[a]naphthacene-2-carboxylic acid::CHEMBL26969

SMILES COc1c2CCc3cc(C=NNC(=S)NC4CCCC4)c(C(O)=O)c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)c(O)c3C(=O)c12

InChI Key InChIKey=XGNJGCGWGUWNAN-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 = 50112851   

TargetSteryl-sulfatase(Human)
Hans-Kn�Ll Institute of Natural Products Research

Curated by ChEMBL
LigandPNGBDBM50112851(3-((cyclopentylaminocarbonothioyl)hydrazono]methyl...)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibitory activity againist Estrone sulfatase from MCF-7 cells (placental microsomes)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2012
Entry Details Article
PubMed