BDBM50501827 CHEMBL4575227

SMILES c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)/C2=O

InChI Key InChIKey=JJCAYWVTBMMQMQ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50501827   

TargetPoly [ADP-ribose] polymerase 2(Human)
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50501827(CHEMBL4575227)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50501827(CHEMBL4575227)
Affinity DataIC50: 27nMAssay Description:Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 2(Human)
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50501827(CHEMBL4575227)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50501827(CHEMBL4575227)
Affinity DataIC50: 27nMAssay Description:Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)