BDBM784006 2-(4-(3-(7-fluoro-1-oxo-1,2- dihydroisoquinolin-3- yl)propanoyl)piperazin-1- yl)benzonitrile::US12459899, Example 98

SMILES N#Cc1ccccc1N1CCN(C(=O)CCc2cc3ccc(F)cc3c(=O)[nH]2)CC1

InChI Key InChIKey=YPSPDCBTHTYKCG-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 = 784006   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 784006BDBM784006(2-(4-(3-(7-fluoro-1-oxo-1,2- dihydroisoquinolin-3-...)
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