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 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C

InChI Key InChIKey=LUJVUUWNAPIQQI-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 5 PDB IDs match this monomer.

  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 = 9954   

TargetAromatase(Human)
Tohoku College of Pharmacy

LigandPNGBDBM9954(2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]he...)
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 Depth
Date in BDB:
6/20/2006
Entry Details Article
PubMed