BDBM50586779 CHEMBL5073596

SMILES C[C@@H]1CN(CCN1CC(F)(F)F)C(=O)c1cc(Cn2c3ccccc3c(=O)[nH]c2=O)ccc1F

InChI Key InChIKey=WJSBPAZKQYZPAE-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  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 = 50586779   

TargetPoly [ADP-ribose] polymerase 1(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50586779(CHEMBL5073596)
Affinity DataIC50: 16nMAssay Description:Inhibition of recombinant human PARP1 using NAD+ as substrate incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 2(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50586779(CHEMBL5073596)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of recombinant human PARP2 using NAD+ as substrate incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed