BDBM50241159 CHEMBL373383::N-butyl-6-((6R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-ylthio)-N-methylhexanamide

SMILES CCCCN(C)C(=O)CCCCCS[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc12

InChI Key InChIKey=VGNKNUFQBPNMSA-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 = 50241159   

Target17-beta-hydroxysteroid dehydrogenase type 1(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50241159(N-butyl-6-((6R,8R,9S,13S,14S,17S)-3,17-dihydroxy-1...)
Affinity DataIC50: 170nMAssay Description:Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiolMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed