Compile Data Set for Download or QSAR
Report error Found 36 Enz. Inhib. hit(s) with all data for entry = 3038
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27158BDBM27158(6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-b...)
Affinity DataKi:  3nMAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27145BDBM27145(2-(4-methylazepan-4-yl)-1H-1,3-benzodiazole-4-carb...)
Affinity DataKi:  3nM ΔG°:  -48.2kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27134BDBM27134(2-(3-methylazetidin-3-yl)-1H-1,3-benzodiazole-4-ca...)
Affinity DataKi:  4nM ΔG°:  -47.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27161BDBM27161(2-(4-methylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...)
Affinity DataKi:  4nMAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27149BDBM27149(2-(2-methylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-...)
Affinity DataKi:  4nM ΔG°:  -47.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27139BDBM27139(2-(3-methylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-...)
Affinity DataKi:  4nM ΔG°:  -47.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27096BDBM27096(2-(pyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxam...)
Affinity DataKi:  4nM ΔG°:  -47.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27141BDBM27141(2-(2-methylpiperidin-2-yl)-1H-1,3-benzodiazole-4-c...)
Affinity DataKi:  5nM ΔG°:  -46.9kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27101BDBM27101(JMC52514 Compound 10b | 2-(azepan-4-yl)-1H-1,3-ben...)
Affinity DataKi:  5nM ΔG°:  -46.9kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27135BDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataKi:  5nM ΔG°:  -46.9kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27136BDBM27136(2-[(2S)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataKi:  5nM ΔG°:  -46.9kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27152BDBM27152(2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazol...)
Affinity DataKi:  5nM ΔG°:  -46.9kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27140BDBM27140(2-[3-methyl-1-(propan-2-yl)pyrrolidin-3-yl]-1H-1,3...)
Affinity DataKi:  6nM ΔG°:  -46.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27093BDBM27093(2-(azetidin-3-yl)-1H-1,3-benzodiazole-4-carboxamid...)
Affinity DataKi:  6nM ΔG°:  -46.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27137BDBM27137(2-(1,2-dimethylpyrrolidin-2-yl)-1H-1,3-benzodiazol...)
Affinity DataKi:  6nM ΔG°:  -46.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27163BDBM27163(2-(1-cyclopentyl-4-methylazepan-4-yl)-1H-1,3-benzo...)
Affinity DataKi:  7nMAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27094BDBM27094(JMC52514 Compound 3b | 2-[(2R)-pyrrolidin-2-yl]-1H...)
Affinity DataKi:  7nM ΔG°:  -46.1kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27162BDBM27162(2-[4-methyl-1-(propan-2-yl)piperidin-4-yl]-1H-1,3-...)
Affinity DataKi:  8nMAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27111BDBM27111(2-[1-(propan-2-yl)pyrrolidin-3-yl]-1H-1,3-benzodia...)
Affinity DataKi:  9nM ΔG°:  -45.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27148BDBM27148(2-[3-methyl-1-(propan-2-yl)azetidin-3-yl]-1H-1,3-b...)
Affinity DataKi:  9nM ΔG°:  -45.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27153BDBM27153(2-{1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3...)
Affinity DataKi:  9nM ΔG°:  -45.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27154BDBM27154(2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1...)
Affinity DataKi:  10nM ΔG°:  -45.2kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27159BDBM27159(6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-b...)
Affinity DataKi:  10nMAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27156BDBM27156(2-(2-ethylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-c...)
Affinity DataKi:  13nM ΔG°:  -44.6kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27146BDBM27146(2-(2-methylazetidin-2-yl)-1H-1,3-benzodiazole-4-ca...)
Affinity DataKi:  13nM ΔG°:  -44.6kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27138BDBM27138(2-(1-methylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-...)
Affinity DataKi:  15nM ΔG°:  -44.2kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27150BDBM27150(2-[2-methyl-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3...)
Affinity DataKi:  17nM ΔG°:  -43.9kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27143BDBM27143(2-(2-methyl-1-propylpiperidin-2-yl)-1H-1,3-benzodi...)
Affinity DataKi:  19nM ΔG°:  -43.6kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27155BDBM27155(2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-1,3-benz...)
Affinity DataKi:  23nM ΔG°:  -43.2kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27142BDBM27142(2-(piperidin-2-yl)-1H-1,3-benzodiazole-4-carboxami...)
Affinity DataKi:  25nM ΔG°:  -43.0kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27095BDBM27095(JMC52514 Compound 4b | 2-[(2S)-pyrrolidin-2-yl]-1H...)
Affinity DataKi:  30nM ΔG°:  -42.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27151BDBM27151(2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-1,3-be...)
Affinity DataKi:  31nM ΔG°:  -42.4kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27147BDBM27147(2-[2-methyl-1-(propan-2-yl)azetidin-2-yl]-1H-1,3-b...)
Affinity DataKi:  42nM ΔG°:  -41.7kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27157BDBM27157(2-[2-ethyl-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3-...)
Affinity DataKi:  69nM ΔG°:  -40.5kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27144BDBM27144(2-(1-propylpiperidin-2-yl)-1H-1,3-benzodiazole-4-c...)
Affinity DataKi:  130nM ΔG°:  -38.9kJ/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27160BDBM27160(2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H...)
Affinity DataKi:  3.30E+3nMAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed