BDBM50549404 CHEMBL4749094

SMILES O=C1NN=C2CN(C(=O)[C@@H]3CCCN3)Cc3[nH]c4cc(F)cc1c4c32

InChI Key InChIKey=VGJWFKZVPZAJAX-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  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 2 hits for monomerid = 50549404   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50549404BDBM50549404(CHEMBL4749094)
Affinity DataIC50: 6.60nMAssay Description:Inhibition of human PARP-1 catalytic domain (662 to 1011 residues) expressed in Escherichia coli BL21(DE3) cells pre-incubated for 30 mins before add...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50549404BDBM50549404(CHEMBL4749094)
Affinity DataEC50:  12nMAssay Description:Inhibition of PARP-1 in human HeLa cells incubated for 18 hrs in presence of H2O2More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed