BDBM50055912 (3alpha,5alpha)-3-hydroxypregnan-20-one)::1-((3R,5S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone::1-((3R,5S,10S,13S,17S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone::1-((3R,5S,10S,14S)-3-Hydroxy-10-methyl-13-(S)-methyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone::1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone::1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone::3alpha-hydroxy-5alpha-pregnan-20-one::CHEMBL38856::US8575375, 10::allopregnanolone

SMILES CC(=O)[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C

InChI Key InChIKey=AURFZBICLPNKBZ-LOPWJTSLSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50055912   

TargetGamma-aminobutyric acid (GABA) B receptor 1(Rattus norvegicus (rat))
Research Triangle Institute

US Patent
LigandPNGBDBM50055912((3alpha,5alpha)-3-hydroxypregnan-20-one) | 1-((3R,...)
Affinity DataIC50:  12.6nMAssay Description:[35S]TBPS binding assay.More data for this Ligand-Target Pair
In DepthDetails US Patent