BDBM581201 4-(aminomethyl)-6-(5-(3,4-dichlorophenyl)- 1-methyl-1H-pyrazol-4-yl)phthalazin-1(2H)- one LCMS [M + 1] + = 400.1; 1H NMR (400 MHz, DMSO-d6) $#948; = 12.86 (s, 1H), 8.36 (br s, 3H), 8.14-8.10 (d, J = 8.4 Hz, 2H), 7.85 (d, J = 1.2 Hz, 1H), 7.79 ( m, 2H), 7.47 (dd, J = 1.6, 8.4 Hz, 1H), 7.40 (dd, J = 2.0, 8.4 Hz, 1H), 4.37 (s, 2H), 3.78 (s, 3H)::US11492351, Example 4-140

SMILES Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1ccc(Cl)c(Cl)c1

InChI Key InChIKey=OYEVHGJJSDIHMF-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 = 581201   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 581201BDBM581201(US11492351, Example 4-140 | 4-(aminomethyl)-6-(5-(...)
Affinity DataIC50: 1.10E+3nMAssay 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