BDBM27682 5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one::CHEMBL125200::dihydroisoquinolinone, 1

SMILES Cc1cccc2c1CCNC2=O

InChI Key InChIKey=RLLZPXDJYADIEU-UHFFFAOYSA-N

Data  1 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 27682   

TargetPoly [ADP-ribose] polymerase 1(Human)
Deltagen Research Laboratories

LigandPNGBDBM27682(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Affinity DataIC50: 160nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Mouse)
Newcastle University

Curated by ChEMBL
LigandPNGBDBM27682(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Affinity DataIC50: 440nMAssay Description:Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP11(Human)
Oregon Health and Science University

Curated by ChEMBL
LigandPNGBDBM27682(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Affinity DataIC50: 2.14E+3nMAssay Description:Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia coli BL21 assessed as reduction in MARylation of His6-tagged SRPK2 su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP10(Human)
Oregon Health and Science University

Curated by ChEMBL
LigandPNGBDBM27682(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Affinity DataIC50: 9.77E+3nMAssay Description:Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation of His6-tagged SRPK2 substrate after 60 mins in presence of NAD+ by c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP10(Human)
Oregon Health and Science University

Curated by ChEMBL
LigandPNGBDBM27682(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Affinity DataIC50: 9.77E+3nMAssay Description:Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation of His6-tagged SRPK2 substrate after 60 mins in presence of NAD+ by c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP11(Human)
Oregon Health and Science University

Curated by ChEMBL
LigandPNGBDBM27682(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia coli BL21 assessed as reduction in MARylation of His6-tagged SRPK2 su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Deltagen Research Laboratories

LigandPNGBDBM27682(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Affinity DataIC50: 420nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Deltagen Research Laboratories

LigandPNGBDBM27682(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Affinity DataIC50: 150nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Deltagen Research Laboratories

LigandPNGBDBM27682(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Affinity DataKi:  70nMAssay Description:Inhibition of human Poly (ADP-ribose) polymerase 1 enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)