BDBM9952 (8R)-8-hexyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione::6-Alkyl 1,4-Diene Steroid 4f

SMILES CCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12

InChI Key InChIKey=TWSVBZORGBDMKX-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 = 9952   

TargetAromatase(Human)
Tohoku College of Pharmacy

LigandPNGBDBM9952((8R)-8-hexyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Affinity DataKi:  8nM ΔG°:  -11.5kcal/mole IC50: 76nMpH: 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