BDBM783986 3-(4-(3-(8-fluoro-1-oxo-1,2- dihydroisoquinolin-3- yl)propanoyl)piperazin-1- yl)benzonitrile::US12459899, Example 77

SMILES N#Cc1cccc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)c1

InChI Key InChIKey=UHTDVZKRTAXIDR-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 783986   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 783986BDBM783986(3-(4-(3-(8-fluoro-1-oxo-1,2- dihydroisoquinolin-3-...)
Affinity DataIC50: 1nMAssay Description:The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
2/23/2026
Entry Details
US Patent