BDBM784031 6-(4-(3-(8-fluoro-5-methyl-1- oxo-1,2-dihydroisoquinolin-3- yl)propanoyl)piperazin-1- yl)nicotinonitrile::US12459899, Example 123

SMILES Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc12

InChI Key InChIKey=XPQYASOVXCLPHP-UHFFFAOYSA-N

  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 = 784031   

TargetPoly [ADP-ribose] polymerase 1(Human)
Digmbio

US Patent
LigandChemical structure of BindingDB Monomer ID 784031BDBM784031(6-(4-(3-(8-fluoro-5-methyl-1- oxo-1,2-dihydroisoqu...)
Affinity DataIC50: 1nMAssay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
2/23/2026
Entry Details
US Patent