BDBM703966 (S)-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; = 8.96 (br s, 1H), 8.49-8.36 (m, 2H), 8.28-7.99 (m, 2H), 7.79- 7.47 (m, 2H), 6.84--6.27 (m, 1H), 5.42-5.14 (m, 2H), 3.07- 2.96 (m, 2H), 2.36 (br s, 1H), 2.24 (br d, J = 1.2 Hz, 3H), 2.03 (s, 1H), 1.94-1.86 (m, 1H), 1.29 (br s, 2H)::US20240368153, Example 10-3

SMILES Cc1cc2[nH]c(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C3CCCc4nccnc43)cc2nc1N

InChI Key InChIKey=KIEKGAQRUFUIEQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 703966   

LigandChemical structure of BindingDB Monomer ID 703966BDBM703966((S)-5-amino-6-methyl-N-(5,6,7,8- tetrahydroquinoxa...)
Affinity DataIC50: 1.03E+4nMAssay 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
In Depth
Date in BDB:
3/14/2025
Entry Details
US Patent