BDBM9984 (2R,6R,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 18::4alpha-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
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 = 9984   

TargetAromatase(Human)
Tohoku Pharmaceutical University

LigandPNGBDBM9984(4alpha-Acetoxyandrost-5-en-17-one | (2R,6R,15S)-2,...)
Affinity DataKi:  60nM ΔG°:  -10.2kcal/mole IC50: 700nMpH: 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