BDBM625691 Synthesis of 1-(2-((3R,5R,8R,9R,10S,13R,14S,17R)-3-hydroxy-3-(methoxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-1H-pyrazole-3-carbonitrile (87) & 1-(2-((3R,5R,8R,9R,10S,13R,14S,17R)-3-hydroxy-3-(methoxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-1H-pyrazole-5-carbonitrile (88)::US20230322846, Example 87

SMILES COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H](CCn5ccc(n5)C#N)[C@@]4(C)CC[C@H]23)C1

InChI Key InChIKey=MKFMULZSVKPJMJ-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 = 625691   

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

US Patent
LigandPNGBDBM625691(US20230322846, Example 87 | Synthesis of 1-(2-((3R...)
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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US Patent