BDBM50540757 CHEMBL4460557

SMILES c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4

InChI Key InChIKey=AFXJUCILCGBUNX-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50540757   

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

Curated by ChEMBL
LigandPNGBDBM50540757(CHEMBL4460557)
Affinity DataIC50: 9.30nMAssay Description:Inhibition of full length human C-terminal His-tagged PARP1 expressed in baculovirus infected Sf9 cells using chicken core histone as substrate incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 2(Human)
University of Naples

Curated by ChEMBL
LigandPNGBDBM50540757(CHEMBL4460557)
Affinity DataIC50: 549nMAssay Description:Inhibition of full length human N-terminal His-tagged PARP2 expressed in baculovirus infected Sf9 cells using histone H3.3 as substrate incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
University of Naples

Curated by ChEMBL
LigandPNGBDBM50540757(CHEMBL4460557)
Affinity DataIC50: 218nMAssay Description:Inhibition of full length human N-terminal GST-tagged TNKS1 ADP-ART catalytic domain (1001 to 1327 residues) using histone H2A as substrate incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
University of Naples

Curated by ChEMBL
LigandPNGBDBM50540757(CHEMBL4460557)
Affinity DataIC50: 193nMAssay Description:Inhibition of full length human N-terminal GST-tagged TNKS2 ADP-ART catalytic domain (1001 to 1327 residues) using histone H2A as substrate incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed