BDBM9954 1,4-Androsten-3,17-dione::2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione

SMILES CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O

InChI Key InChIKey=LUJVUUWNAPIQQI-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 4 PDB IDs match this monomer.

  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 = 9954   

TargetAromatase(Homo sapiens (Human))
Tohoku College Of Pharmacy

LigandPNGBDBM9954(1,4-Androsten-3,17-dione | 2,15-dimethyltetracyclo...)
Affinity DataKi:  43nM ΔG°:  -10.4kcal/mole IC50:  530nMpH: 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 DepthDetails ArticlePubMed