BDBM625780 Synthesis of 1-((R)-2-((3R,5R,8R,9R,10S,13S,14S,17R)-3-(ethoxymethyl)-3-hydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propyl)-1H-pyrazole-4-carbonitrile (269) & 1-((S)-2-((3R,5R,8R,9R,10S,13S,14S,17R)-3-(ethoxymethyl)-3-hydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propyl)-1H-pyrazole-4-carbonitrile (270)::US20230322846, Example 269

SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cn5cc(cn5)C#N)[C@@]4(C)CC[C@H]23)C1

InChI Key InChIKey=PATIPCZPBVZABH-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 = 625780   

TargetGamma-aminobutyric acid receptor subunit beta-1(Rat)
Sage Therapeutics

US Patent
LigandPNGBDBM625780(US20230322846, Example 269 | Synthesis of 1-((R)-2...)
Affinity DataIC50: 100nMAssay Description:Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogen...More data for this Ligand-Target Pair
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Date in BDB:
11/22/2023
Entry Details
US Patent