BDBM783837 4-(4-(3-(8-fluoro-1-oxo-1,2- dihydroisoquinolin-3- yl)propanoyl)piperazin-1- yl)benzonitrile::US12459899, Example 68

SMILES N#Cc1ccc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1

InChI Key InChIKey=ZJHDLWVHBHRWQQ-UHFFFAOYSA-N

  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 = 783837   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 783837BDBM783837(4-(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

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

US Patent
LigandChemical structure of BindingDB Monomer ID 783837BDBM783837(4-(4-(3-(8-fluoro-1-oxo-1,2- dihydroisoquinolin-3-...)
Affinity DataIC50: 1.90nMAssay 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