BDBM801117 1-(2-((3R,5R,8R,9R,10S,13S,14S,15S)-15-Cyclopropyl-3-hydroxy-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl)-1H-pyrazole-4-carbonitrile::US12590118, Example 48

SMILES C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(=O)Cn4cc(C#N)cn4)C[C@@H](C4CC4)[C@@H]32)C1

InChI Key InChIKey=JOFCPEIXTFSNLT-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 801117   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 801117BDBM801117(1-(2-((3R,5R,8R,9R,10S,13S,14S,15S)-15-Cyclopropyl...)
Affinity DataIC50: 7.5nMAssay 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