BDBM784048 1''-(3-(8-fluoro-5-methyl-1-oxo- 1,2-dihydroisoquinolin-3- yl)propanoyl)-1'',2'',3'',6''- tetrahydro-[2,4''-bipyridine]-5- carbonitrile::US12459899, Example 140

SMILES Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(C#N)cn4)CC3)cc12

InChI Key InChIKey=POJROZOKSVQHEI-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 1 hit for monomerid = 784048   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 784048BDBM784048(1'-(3-(8-fluoro-5-methyl-1-oxo- 1,2-dihydroisoquin...)
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