BDBM703967 (R)-5-amino-6-methyl-N-(5,6,7,8- tetrahydroquinoxalin-5-yl)-N-((5- (trifluoromethyl)pyridin-2- yl)methyl)-1H-pyrrolo[3,2- b]pyridine-2-carboxamide LCMS [M + 1]+ = 482.1. 1H NMR (400 MHz, METHANOL-d4) $#948; = 9.09-8.60 (m, 1H), 8.48-8.32 (m, 2H), 8.25-7.99 (m, 2H), 7.82- 7.44 (m, 2H), 6.86-6.27 (m, 1H), 5.47-5.04 (m, 2H), 3.06- 2.89 (m, 2H), 2.49-2.34 (m, 1H), 2.25 (br s, 3H), 2.16 (br d, J = 12 Hz, 1H), 2.00-1.86 (m, 1H), 1.29 (br s, 2H)::US20240368153, Example 10-4

SMILES Cc1cc2[nH]c(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@H]3CCCc4nccnc43)cc2nc1N

InChI Key InChIKey=KIEKGAQRUFUIEQ-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 = 703967   

LigandChemical structure of BindingDB Monomer ID 703967BDBM703967((R)-5-amino-6-methyl-N-(5,6,7,8- tetrahydroquinoxa...)
Affinity DataIC50: 379nMAssay Description:Table B2: The assay uses recombinant full-length histone H2A as the PRMT5 substrate. Enzymatic transfer of the tritiated methyl group from S-adenosyl...More data for this Ligand-Target Pair
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Date in BDB:
3/14/2025
Entry Details
US Patent