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PubMed code 21417348

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341860
PNG
(8-chloro-2-(4-(4-(4-fluorophenyl)-5,6-dihydropyrid...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8|
Show InChI InChI=1S/C23H23ClFN3O/c24-20-5-3-4-19-22(20)26-21(27-23(19)29)6-1-2-13-28-14-11-17(12-15-28)16-7-9-18(25)10-8-16/h3-5,7-11H,1-2,6,12-15H2,(H,26,27,29)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341859
PNG
(2-(4-chlorophenyl)quinoxaline-5-carboxamide | CHEM...)
Show SMILES NC(=O)c1cccc2nc(cnc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-14-11(15(17)20)2-1-3-12(14)19-13/h1-8H,(H2,17,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341859
PNG
(2-(4-chlorophenyl)quinoxaline-5-carboxamide | CHEM...)
Show SMILES NC(=O)c1cccc2nc(cnc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-14-11(15(17)20)2-1-3-12(14)19-13/h1-8H,(H2,17,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341860
PNG
(8-chloro-2-(4-(4-(4-fluorophenyl)-5,6-dihydropyrid...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8|
Show InChI InChI=1S/C23H23ClFN3O/c24-20-5-3-4-19-22(20)26-21(27-23(19)29)6-1-2-13-28-14-11-17(12-15-28)16-7-9-18(25)10-8-16/h3-5,7-11H,1-2,6,12-15H2,(H,26,27,29)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341857
PNG
(5-Amino-2-(2-carboxyethyl)isoquinolin-1-one | CHEM...)
Show SMILES Nc1cccc2c1ccn(CCC(O)=O)c2=O
Show InChI InChI=1S/C12H12N2O3/c13-10-3-1-2-9-8(10)4-6-14(12(9)17)7-5-11(15)16/h1-4,6H,5,7,13H2,(H,15,16)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341856
PNG
(5-(Carboxymethylamino)isoquinolin-1-one | CHEMBL17...)
Show SMILES OC(=O)CNc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C11H10N2O3/c14-10(15)6-13-9-3-1-2-8-7(9)4-5-12-11(8)16/h1-5,13H,6H2,(H,12,16)(H,14,15)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341867
PNG
(5-(4-Iodobenzamido)isoquinolin-1-one | CHEMBL17670...)
Show SMILES Ic1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11IN2O2/c17-11-6-4-10(5-7-11)15(20)19-14-3-1-2-13-12(14)8-9-18-16(13)21/h1-9H,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM39220
PNG
((1-oxidanylidene-2H-isoquinolin-5-yl) benzoate | (...)
Show SMILES O=C(Oc1cccc2c1cc[nH]c2=O)c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15-13-7-4-8-14(12(13)9-10-17-15)20-16(19)11-5-2-1-3-6-11/h1-10H,(H,17,18)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341861
PNG
(5-Benzamidoisoquinolin-1-one | CHEMBL1767054)
Show SMILES O=C(Nc1cccc2c1cc[nH]c2=O)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15(11-5-2-1-3-6-11)18-14-8-4-7-13-12(14)9-10-17-16(13)20/h1-10H,(H,17,20)(H,18,19)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341857
PNG
(5-Amino-2-(2-carboxyethyl)isoquinolin-1-one | CHEM...)
Show SMILES Nc1cccc2c1ccn(CCC(O)=O)c2=O
Show InChI InChI=1S/C12H12N2O3/c13-10-3-1-2-9-8(10)4-6-14(12(9)17)7-5-11(15)16/h1-4,6H,5,7,13H2,(H,15,16)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341856
PNG
(5-(Carboxymethylamino)isoquinolin-1-one | CHEMBL17...)
Show SMILES OC(=O)CNc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C11H10N2O3/c14-10(15)6-13-9-3-1-2-8-7(9)4-5-12-11(8)16/h1-5,13H,6H2,(H,12,16)(H,14,15)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341863
PNG
(5-(4-Nitrobenzamido)isoquinolin-1-one | CHEMBL1767...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11N3O4/c20-15(10-4-6-11(7-5-10)19(22)23)18-14-3-1-2-13-12(14)8-9-17-16(13)21/h1-9H,(H,17,21)(H,18,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341863
PNG
(5-(4-Nitrobenzamido)isoquinolin-1-one | CHEMBL1767...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11N3O4/c20-15(10-4-6-11(7-5-10)19(22)23)18-14-3-1-2-13-12(14)8-9-17-16(13)21/h1-9H,(H,17,21)(H,18,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341877
PNG
(3-(1-Oxoisoquinolin-5-yl)propanoic acid | CHEMBL17...)
Show SMILES OC(=O)CCc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C12H11NO3/c14-11(15)5-4-8-2-1-3-10-9(8)6-7-13-12(10)16/h1-3,6-7H,4-5H2,(H,13,16)(H,14,15)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341869
PNG
(5-(2-Iodobenzamido)isoquinolin-1-one | CHEMBL17670...)
Show SMILES Ic1ccccc1C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11IN2O2/c17-13-6-2-1-4-12(13)16(21)19-14-7-3-5-11-10(14)8-9-18-15(11)20/h1-9H,(H,18,20)(H,19,21)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341864
PNG
(5-(4-Trifluoromethylbenzamido)isoquinolin-1-one | ...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C17H11F3N2O2/c18-17(19,20)11-6-4-10(5-7-11)15(23)22-14-3-1-2-13-12(14)8-9-21-16(13)24/h1-9H,(H,21,24)(H,22,23)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341865
PNG
(5-(4-Fluorobenzamido)isoquinolin-1-one | CHEMBL176...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11FN2O2/c17-11-6-4-10(5-7-11)15(20)19-14-3-1-2-13-12(14)8-9-18-16(13)21/h1-9H,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341866
PNG
(5-(4-Chlorobenzamido)isoquinolin-1-one | CHEMBL176...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11ClN2O2/c17-11-6-4-10(5-7-11)15(20)19-14-3-1-2-13-12(14)8-9-18-16(13)21/h1-9H,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM39220
PNG
((1-oxidanylidene-2H-isoquinolin-5-yl) benzoate | (...)
Show SMILES O=C(Oc1cccc2c1cc[nH]c2=O)c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15-13-7-4-8-14(12(13)9-10-17-15)20-16(19)11-5-2-1-3-6-11/h1-10H,(H,17,18)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341869
PNG
(5-(2-Iodobenzamido)isoquinolin-1-one | CHEMBL17670...)
Show SMILES Ic1ccccc1C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11IN2O2/c17-13-6-2-1-4-12(13)16(21)19-14-7-3-5-11-10(14)8-9-18-15(11)20/h1-9H,(H,18,20)(H,19,21)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341876
PNG
(CHEMBL1767063 | E-3-(1-Oxoisoquinolin-5-yl)propeno...)
Show SMILES OC(=O)\C=C\c1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C12H9NO3/c14-11(15)5-4-8-2-1-3-10-9(8)6-7-13-12(10)16/h1-7H,(H,13,16)(H,14,15)/b5-4+
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341868
PNG
(5-(2-Methylbenzamido)isoquinolin-1-one | CHEMBL176...)
Show SMILES Cc1ccccc1C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C17H14N2O2/c1-11-5-2-3-6-12(11)17(21)19-15-8-4-7-14-13(15)9-10-18-16(14)20/h2-10H,1H3,(H,18,20)(H,19,21)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341874
PNG
(5-Benzamido-3-methylisoquinolin-1-one | CHEMBL1767...)
Show SMILES Cc1cc2c(NC(=O)c3ccccc3)cccc2c(=O)[nH]1
Show InChI InChI=1S/C17H14N2O2/c1-11-10-14-13(17(21)18-11)8-5-9-15(14)19-16(20)12-6-3-2-4-7-12/h2-10H,1H3,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341862
PNG
(5-(4-Methylbenzamido)isoquinolin-1-one | CHEMBL176...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C17H14N2O2/c1-11-5-7-12(8-6-11)16(20)19-15-4-2-3-14-13(15)9-10-18-17(14)21/h2-10H,1H3,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341876
PNG
(CHEMBL1767063 | E-3-(1-Oxoisoquinolin-5-yl)propeno...)
Show SMILES OC(=O)\C=C\c1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C12H9NO3/c14-11(15)5-4-8-2-1-3-10-9(8)6-7-13-12(10)16/h1-7H,(H,13,16)(H,14,15)/b5-4+
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341870
PNG
(5-(Thiophene-2-carboxamido)isoquinolin-1-one | CHE...)
Show SMILES O=C(Nc1cccc2c1cc[nH]c2=O)c1cccs1
Show InChI InChI=1S/C14H10N2O2S/c17-13-10-3-1-4-11(9(10)6-7-15-13)16-14(18)12-5-2-8-19-12/h1-8H,(H,15,17)(H,16,18)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341867
PNG
(5-(4-Iodobenzamido)isoquinolin-1-one | CHEMBL17670...)
Show SMILES Ic1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11IN2O2/c17-11-6-4-10(5-7-11)15(20)19-14-3-1-2-13-12(14)8-9-18-16(13)21/h1-9H,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341877
PNG
(3-(1-Oxoisoquinolin-5-yl)propanoic acid | CHEMBL17...)
Show SMILES OC(=O)CCc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C12H11NO3/c14-11(15)5-4-8-2-1-3-10-9(8)6-7-13-12(10)16/h1-3,6-7H,4-5H2,(H,13,16)(H,14,15)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341864
PNG
(5-(4-Trifluoromethylbenzamido)isoquinolin-1-one | ...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C17H11F3N2O2/c18-17(19,20)11-6-4-10(5-7-11)15(23)22-14-3-1-2-13-12(14)8-9-21-16(13)24/h1-9H,(H,21,24)(H,22,23)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341866
PNG
(5-(4-Chlorobenzamido)isoquinolin-1-one | CHEMBL176...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11ClN2O2/c17-11-6-4-10(5-7-11)15(20)19-14-3-1-2-13-12(14)8-9-18-16(13)21/h1-9H,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341862
PNG
(5-(4-Methylbenzamido)isoquinolin-1-one | CHEMBL176...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C17H14N2O2/c1-11-5-7-12(8-6-11)16(20)19-15-4-2-3-14-13(15)9-10-18-17(14)21/h2-10H,1H3,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341861
PNG
(5-Benzamidoisoquinolin-1-one | CHEMBL1767054)
Show SMILES O=C(Nc1cccc2c1cc[nH]c2=O)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15(11-5-2-1-3-6-11)18-14-8-4-7-13-12(14)9-10-17-16(13)20/h1-10H,(H,17,20)(H,18,19)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341874
PNG
(5-Benzamido-3-methylisoquinolin-1-one | CHEMBL1767...)
Show SMILES Cc1cc2c(NC(=O)c3ccccc3)cccc2c(=O)[nH]1
Show InChI InChI=1S/C17H14N2O2/c1-11-10-14-13(17(21)18-11)8-5-9-15(14)19-16(20)12-6-3-2-4-7-12/h2-10H,1H3,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341865
PNG
(5-(4-Fluorobenzamido)isoquinolin-1-one | CHEMBL176...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C16H11FN2O2/c17-11-6-4-10(5-7-11)15(20)19-14-3-1-2-13-12(14)8-9-18-16(13)21/h1-9H,(H,18,21)(H,19,20)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341873
PNG
(5-(Adamantan-1-ylcarboxamido)isoquinolin-1-one | C...)
Show SMILES O=C(Nc1cccc2c1cc[nH]c2=O)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,1:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C20H22N2O2/c23-18-16-2-1-3-17(15(16)4-5-21-18)22-19(24)20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14H,6-11H2,(H,21,23)(H,22,24)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341870
PNG
(5-(Thiophene-2-carboxamido)isoquinolin-1-one | CHE...)
Show SMILES O=C(Nc1cccc2c1cc[nH]c2=O)c1cccs1
Show InChI InChI=1S/C14H10N2O2S/c17-13-10-3-1-4-11(9(10)6-7-15-13)16-14(18)12-5-2-8-19-12/h1-8H,(H,15,17)(H,16,18)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341875
PNG
(1-Oxoisoquinoline-5-carboxylic acid | CHEMBL176706...)
Show SMILES OC(=O)c1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C10H7NO3/c12-9-7-2-1-3-8(10(13)14)6(7)4-5-11-9/h1-5H,(H,11,12)(H,13,14)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341875
PNG
(1-Oxoisoquinoline-5-carboxylic acid | CHEMBL176706...)
Show SMILES OC(=O)c1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C10H7NO3/c12-9-7-2-1-3-8(10(13)14)6(7)4-5-11-9/h1-5H,(H,11,12)(H,13,14)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341871
PNG
(5-(Cyclohexanecarboxamido)isoquinolin-1-one | CHEM...)
Show SMILES O=C(Nc1cccc2c1cc[nH]c2=O)C1CCCCC1
Show InChI InChI=1S/C16H18N2O2/c19-15(11-5-2-1-3-6-11)18-14-8-4-7-13-12(14)9-10-17-16(13)20/h4,7-11H,1-3,5-6H2,(H,17,20)(H,18,19)
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n/an/a 2.79E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50341872
PNG
(5-(2,2-Dimethylpropanamido)isoquinolin-1-one | CHE...)
Show SMILES CC(C)(C)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C14H16N2O2/c1-14(2,3)13(18)16-11-6-4-5-10-9(11)7-8-15-12(10)17/h4-8H,1-3H3,(H,15,17)(H,16,18)
PDB
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PC sid
UniChem
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PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341868
PNG
(5-(2-Methylbenzamido)isoquinolin-1-one | CHEMBL176...)
Show SMILES Cc1ccccc1C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C17H14N2O2/c1-11-5-2-3-6-12(11)17(21)19-15-8-4-7-14-13(15)9-10-18-16(14)20/h2-10H,1H3,(H,18,20)(H,19,21)
PDB
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UniProtKB/SwissProt

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antibodypedia
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n/an/a 3.16E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341873
PNG
(5-(Adamantan-1-ylcarboxamido)isoquinolin-1-one | C...)
Show SMILES O=C(Nc1cccc2c1cc[nH]c2=O)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,1:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C20H22N2O2/c23-18-16-2-1-3-17(15(16)4-5-21-18)22-19(24)20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14H,6-11H2,(H,21,23)(H,22,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341871
PNG
(5-(Cyclohexanecarboxamido)isoquinolin-1-one | CHEM...)
Show SMILES O=C(Nc1cccc2c1cc[nH]c2=O)C1CCCCC1
Show InChI InChI=1S/C16H18N2O2/c19-15(11-5-2-1-3-6-11)18-14-8-4-7-13-12(14)9-10-17-16(13)20/h4,7-11H,1-3,5-6H2,(H,17,20)(H,18,19)
PDB
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UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/a>8.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50341872
PNG
(5-(2,2-Dimethylpropanamido)isoquinolin-1-one | CHE...)
Show SMILES CC(C)(C)C(=O)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C14H16N2O2/c1-14(2,3)13(18)16-11-6-4-5-10-9(11)7-8-15-12(10)17/h4-8H,1-3H3,(H,15,17)(H,16,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay


J Med Chem 54: 2049-59 (2011)


Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%