BDBM801134 1-((3R,5R,8R,9R,10S,13S,14S,15S,17S)-15-Cyclopropyl-3-hydroxy-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-one::US12590118, Example 97

SMILES C[C@@]6(O)CC[C@H]1[C@H](CC[C@@H]4[C@@H]1CC[C@]5(C)[C@@H](C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@H](C3CC3)[C@@H]45)C6

InChI Key InChIKey=IAEPZMIKSXGKRH-UHFFFAOYSA-N

Data  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 = 801134   

TargetGamma-aminobutyric acid receptor subunit alpha-1(Rat)
Shanghai Hansoh Biomedical Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 801134BDBM801134(1-((3R,5R,8R,9R,10S,13S,14S,15S,17S)-15-Cyclopropy...)
Affinity DataIC50: 18.6nMAssay Description:1.2.2 35S-TBPS Binding Assay1. 230 μL of PBS was added to each well of a well plate with 1.1 mL volume.2. 60 μL of the cerebral cortex cell membrane ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
8/10/2026
Entry Details
US Patent