BDBM50311659 (8R,9S,13S,14S)-2-Bromo-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one(8R,9S,13S,14S)-2-Bromo-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one::(8R,9S,13S,14S)-2-bromo-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one::CHEMBL189051

SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Br)cc34)[C@@H]1CCC2=O

InChI Key InChIKey=JVITVXNLPKMREE-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50311659   

TargetSteryl-sulfatase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM50311659((8R,9S,13S,14S)-2-bromo-3-hydroxy-13-methyl-7,8,9,...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
Target17-beta-hydroxysteroid dehydrogenase type 1(Human)
Institute of Experimental Genetics

Curated by ChEMBL
LigandPNGBDBM50311659((8R,9S,13S,14S)-2-bromo-3-hydroxy-13-methyl-7,8,9,...)
Affinity DataIC50: 233nMAssay Description:Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetAromatase(Human)
The M. S. University of Baroda

Curated by ChEMBL
LigandPNGBDBM50311659((8R,9S,13S,14S)-2-bromo-3-hydroxy-13-methyl-7,8,9,...)
Affinity DataKi:  100nMAssay Description:Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]ADMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2017
Entry Details Article
PubMed