BDBM9995 (2S,8R,15S)-8-hydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6beta,19-dihydroxyandrost-4-en-17-one::Hydroxylated 3-Deoxy C19 Steroid 37

SMILES C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34CO)C1CCC2=O

InChI Key InChIKey=FITTWLFIFVRTBR-UHFFFAOYSA-N

Data  1 KI  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 = 9995   

TargetAromatase(Human)
Tohoku Pharmaceutical University

LigandPNGBDBM9995(6beta,19-dihydroxyandrost-4-en-17-one | (2S,8R,15S...)
Affinity DataKi:  110nM ΔG°:  -9.87kcal/mole IC50: 940nMpH: 7.5 T: 2°CAssay Description:The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2006
Entry Details Article
PubMed