BDBM703972 (S)-6-amino-8-methyl-N-(5,6,7,8- tetrahydroquinoxalin-5-yl)-N-((5- (trifluoromethyl)pyridin-2- yl)methyl)-1,5-naphthyridine-3- carboxamide LCMS [M + 1]+ = 494.2. 1H NMR (400 MHz, MeOD-d4) $#948; = 8.89- 8.78 (m, 1H), 8.78-8.57 (m, 1H), 8.55-8.51 (m, 1H), 8.42-8.38 (m, 1H), 8.16-7.97 (m, 2H), 7.81- 7.71 (m, 1H), 6.99-6.94 (m, 1H), 5.36-5.24 (m, 1H), 5.04- 4.97 (m, 1H), 4.24 (d, J = 16.6 Hz, 1H), 3.06-2.83 (m, 2H), 2.64- 2.57 (m, 3H), 2.40-2.24 (m, 1H), 2.19-2.01 (m, 2H), 1.96-1.68 (m, 1H)::US20240368153, Example 10-9

SMILES Cc1cc(N)nc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@H]3CCCc4nccnc43)cnc12

InChI Key InChIKey=AMNPCLREWCIOTK-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 703972   

LigandChemical structure of BindingDB Monomer ID 703972BDBM703972((S)-6-amino-8-methyl-N-(5,6,7,8- tetrahydroquinoxa...)
Affinity DataIC50: 2.53E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 703972BDBM703972((S)-6-amino-8-methyl-N-(5,6,7,8- tetrahydroquinoxa...)
Affinity DataIC50: 3.31E+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