BDBM625689 Synthesis of 5-cyano-N ((R)-1-((3R,5R,8R,9S,10S,13S,14S,17S)-3-(ethoxymethyl)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-N-methylpyridine-2-sulfonamide (77) & 5-cyano-N ((R)-1-((3R,5R,8R,9S,10S,13S,14S,17S)-3-(ethoxymethyl)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)pyridine-2-sulfonamide (78)::US20230322846, Example 77

SMILES CCOC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)NS(=O)(=O)c5ccc(cn5)C#N)[C@@]4(C)CC[C@H]23)C1

InChI Key InChIKey=ACVWHAFDPHLURM-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 = 625689   

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

US Patent
LigandPNGBDBM625689(US20230322846, Example 77 | Synthesis of 5-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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