BDBM625679 Synthesis of 4-cyano-N ((R)-1-((3R,5R,8R,9R,10S,13S,14S,17S)-3-(ethoxymethyl)-3-hydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)benzenesulfonamide (67) & 4-cyano-N ((R)-1-((3R,5R,8R,9R,10S,13S,14S,17S)-3-(ethoxymethyl)-3-hydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-N-methylbenzenesulfonamide (68)::US20230322846, Example 67

SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)NS(=O)(=O)c5ccc(cc5)C#N)[C@@]4(C)CC[C@H]23)C1

InChI Key InChIKey=LWJFAUWNFYNUBH-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 = 625679   

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

US Patent
LigandPNGBDBM625679(US20230322846, Example 67 | Synthesis of 4-cyano-N...)
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
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