BDBM783831 3-(3-(4-(4-chlorophenyl)-3,6- dihydropyridin-1(2H)- yl)propyl)-7-fluoroisoquinolin- 1(2H)-one::US12459899, Example 49

SMILES O=c1[nH]c(CCCN2CC=C(c3ccc(Cl)cc3)CC2)cc2ccc(F)cc12

InChI Key InChIKey=OXXJYRUADZBDNH-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 = 783831   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 783831BDBM783831(3-(3-(4-(4-chlorophenyl)-3,6- dihydropyridin-1(2H)...)
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 783831BDBM783831(3-(3-(4-(4-chlorophenyl)-3,6- dihydropyridin-1(2H)...)
Affinity DataIC50: 3.58nMAssay 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