BDBM50638267 CHEMBL5559084

SMILES COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccccc1C

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50638267   

TargetPoly [ADP-ribose] polymerase 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50638267(CHEMBL5559084)
Affinity DataIC50: 8.5nMAssay Description:Inhibition of PARP1 (unknown origin) incubated for 1 hrs in presence of NAD and DNA by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50638267(CHEMBL5559084)
Affinity DataIC50: 12nMAssay Description:Inhibition of GST-tagged human PARP1 incubated for 30 mins by chemiluminescence based UV/visible spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50638267(CHEMBL5559084)
Affinity DataKd:  56nMAssay Description:Binding affinity to PAPR1 (unknown origin) assessed as equilibrium dissociation constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50638267(CHEMBL5559084)
Affinity DataIC50: 1.93E+3nMAssay Description:Inhibition of GST-tagged human PARP2 incubated for 30 mins by chemiluminescence based UV/visible spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed