BDBM801132 1-(2-((3R,5R,8R,9R,10S,13S,14S,15R,17S)-15-Ethyl-3-hydroxy-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl)-1H-pyrazole-3,5-dicarbonitrile::US12590118, Example 95

SMILES CC[C@@H]1C[C@H](C(=O)Cn2nc(C#N)cc2C#N)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@@H]43)[C@H]12

InChI Key InChIKey=ZDVAFGLVKAWVFO-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 = 801132   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 801132BDBM801132(1-(2-((3R,5R,8R,9R,10S,13S,14S,15R,17S)-15-Ethyl-3...)
Affinity DataIC50: 16.2nMAssay 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