BDBM581185 2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin-6-yl)-1-methyl-1H- pyrazol-5-yl)-4-chloro-6-ethylbenzonitrile LCMS [M + 1] + = 419.2; 1H NMR (400 MHz, DMSO-d6) $#948; = 12.88 (s, 1H), 8.38 (br s, 3H), 8.28 (s, 1H), 8.11 (d, J = 8.4 Hz, 1H), 7.85 (d, J = 2.0 Hz, 1H), 7.82 (d, J = 2.0 Hz, 1H), 7.75 (d, J = 1.2 Hz, 1H), 7.42 (dd, J = 1.6, 8.4 Hz, 1H), 4.39-4.22 (m, 2H), 3.75 (s, 3H), 2.83 (q, J = 7.6 Hz, 2H), 1.21 (t, J = 7.6 Hz, 3H)::US11492351, Example 4-200

SMILES CCc1cc(Cl)cc(-c2c(-c3ccc4c(=O)[nH]nc(CN)c4c3)cnn2C)c1C#N

InChI Key InChIKey=HZXRQFBPYOEHRQ-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 = 581185   

TargetMethylosome protein 50/Protein arginine N-methyltransferase 5(Human)
Mirati Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 581185BDBM581185(US11492351, Example 4-200 | 2-(4-(4-(aminomethyl)-...)
Affinity DataIC50: 156nMAssay Description:The assay uses purified human, PRMT5 enzyme to convert S-adenosyl-L-[methyl-3H]methionine plus histone H4 L-arginine to S-adenosyl-L-homocysteine plu...More data for this Ligand-Target Pair
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Date in BDB:
1/20/2023
Entry Details
US Patent