BDBM9989 (2S,6S,15S)-6-hydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-one::Hydroxylated 3-Deoxy C19 Steroid 27

SMILES C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34CO)C1CCC2=O

InChI Key InChIKey=HGXZNIOSVPOXRE-TZKATEEESA-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 = 9989   

TargetAromatase(Homo sapiens (Human))
Tohoku Pharmaceutical University

LigandPNGBDBM9989((2S,6S,15S)-6-hydroxy-2-(hydroxymethyl)-15-methylt...)
Affinity DataKi:  3.40nM ΔG°:  -12.0kcal/mole IC50:  31nMpH: 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
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