BDBM801098 1-(2-((2R,4aS,4bR,6aS,7S,7aS,8aR,8bR,8cR,10aR)-2-Hydroxy-2,6a-dimethyloctadecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7-yl)-2-oxoethyl)-1H-pyrazole-3-carbonitrile::US12590118, Example 2

SMILES C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3[C@@H]3C[C@@H]3[C@@H]2C(=O)Cn2ccc(C#N)n2)C1

InChI Key InChIKey=PEUPRGAOPYYPLO-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 = 801098   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 801098BDBM801098(1-(2-((2R,4aS,4bR,6aS,7S,7aS,8aR,8bR,8cR,10aR)-2-H...)
Affinity DataIC50: 14.9nMAssay 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