BDBM9945 (8S)-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 3f

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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9945   

TargetAromatase(Human)
Tohoku College of Pharmacy

LigandPNGBDBM9945((8S)-8-hexyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Affinity DataKi:  25nM ΔG°:  -10.8kcal/mole IC50: 280nMpH: 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