BDBM9988 (2R,6S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-6-yl acetate::3-Deoxy C19 Steroid 19::4beta-Acetoxyandrost-5-en-17-one

SMILES CC(=O)O[C@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12

InChI Key InChIKey=WJINZNWBMZDWPK-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 = 9988   

TargetAromatase(Human)
Tohoku Pharmaceutical University

LigandPNGBDBM9988(4beta-Acetoxyandrost-5-en-17-one | (2R,6S,15S)-2,1...)
Affinity DataKi:  90nM ΔG°:  -9.99kcal/mole IC50: 1.00E+3nMpH: 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