BDBM50110824 CHEMBL3605967

SMILES COCCCN1Cc2cccc(c2C1=O)C(=O)N

InChI Key InChIKey=VARCSQSOWLMGTH-UHFFFAOYSA-N

Data  1 IC50  2 Kd

PDB links: 2 PDB IDs match 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 3 hits for monomerid = 50110824   

TargetPoly [ADP-ribose] polymerase 2(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50110824(CHEMBL3605967)
Affinity DataKd:  125nMAssay Description:Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50110824(CHEMBL3605967)
Affinity DataKd:  87nMAssay Description:Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50110824(CHEMBL3605967)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)