Compile Data Set for Download or QSAR
Report error Found 19 Enz. Inhib. hit(s) for PDB: 4R5W
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 11nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataIC50: 74nMAssay Description:Inhibition of full length recombinant human His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 120nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataIC50: 120nMAssay Description:Inhibition of full length recombinant human His6-tagged PARP1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataIC50: 166nMAssay Description:Inhibition of recombinant human His6-tagged PARP1 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataIC50: 169nMAssay Description:Inhibition of recombinant human His6-tagged PARP1 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataKd:  620nMAssay Description:Binding affinity to PARP1 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 1.18E+3nMAssay Description:Inhibition of PARP1 autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity to recombinant PARP1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 1.37E+3nMAssay Description:Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 1.37E+3nMAssay Description:Inhibition of human PARP1 after 60 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataIC50: 2.19E+3nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of recombinant human His6-tagged PARP1 autophosphorylation at ADP-ribosyltransferase domain by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of PARP1More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50188594(CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...)
Affinity DataIC50: 3.49E+4nMAssay Description:Inhibition of recombinant human PARP1 expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)