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Compile Data Set for Download or QSAR

Found 73 hits of ic50 for UniProtKB: O88554   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM50536937
PNG
(CHEMBL4554200)
Show SMILES CC(C)n1cc2CN(Cc2n1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1S/C24H22FN5O2/c1-14(2)30-12-16-11-29(13-22(16)28-30)24(32)19-9-15(7-8-20(19)25)10-21-17-5-3-4-6-18(17)23(31)27-26-21/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,31)
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n/an/a 0.700n/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PARP2 by chemiluminescence assay

Eur J Med Chem 165: 198-215 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.024
BindingDB Entry DOI: 10.7270/Q2Z03CPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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n/an/a 1n/an/an/an/an/an/a



KuDOS Pharmaceuticals Ltd.



Assay Description
A FlashPlate scintillation proximity assay has been used to identify inhibitors of PARP-2. PARP-2 protein (recombinant) was bound down by a PARP-2 sp...

J Med Chem 51: 6581-91 (2008)


Article DOI: 10.1021/jm8001263
BindingDB Entry DOI: 10.7270/Q2BP014T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM139658
PNG
(US8894989, 37)
Show SMILES O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c23
Show InChI InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02139
BindingDB Entry DOI: 10.7270/Q27H1PK7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27720
PNG
(3-(4-chlorophenyl)quinoxaline-5-carboxamide | quin...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
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n/an/a 7n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27723
PNG
(3-(4-methoxyphenyl)quinoxaline-5-carboxamide | CHE...)
Show SMILES COc1ccc(cc1)-c1cnc2cccc(C(N)=O)c2n1
Show InChI InChI=1S/C16H13N3O2/c1-21-11-7-5-10(6-8-11)14-9-18-13-4-2-3-12(16(17)20)15(13)19-14/h2-9H,1H3,(H2,17,20)
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n/an/a 8n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27721
PNG
(3-(4-cyanophenyl)quinoxaline-5-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N4O/c17-8-10-4-6-11(7-5-10)14-9-19-13-3-1-2-12(16(18)21)15(13)20-14/h1-7,9H,(H2,18,21)
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n/an/a 8n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27724
PNG
(3-(4-aminophenyl)quinoxaline-5-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(N)cc1
Show InChI InChI=1S/C15H12N4O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,16H2,(H2,17,20)
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n/an/a 9n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27722
PNG
(3-[4-(trifluoromethyl)phenyl]quinoxaline-5-carboxa...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3N3O/c17-16(18,19)10-6-4-9(5-7-10)13-8-21-12-3-1-2-11(15(20)23)14(12)22-13/h1-8H,(H2,20,23)
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n/an/a 11n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27719
PNG
(3-phenylquinoxaline-5-carboxamide | quinoxaline an...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-4-8-12-14(11)18-13(9-17-12)10-5-2-1-3-6-10/h1-9H,(H2,16,19)
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n/an/a 14n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27493
PNG
(2-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-1,...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1nc2cccc3C(=O)CCn1c23
Show InChI InChI=1S/C19H21N5O/c1-12-17(21-11-20-12)13-5-8-23(9-6-13)19-22-15-4-2-3-14-16(25)7-10-24(19)18(14)15/h2-4,11,13H,5-10H2,1H3,(H,20,21)
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n/an/a 20n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27494
PNG
(2-[4-(pyridin-2-yl)phenyl]-1,3-diazatricyclo[6.3.1...)
Show SMILES O=C1CCn2c(nc3cccc1c23)-c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C21H15N3O/c25-19-11-13-24-20-16(19)4-3-6-18(20)23-21(24)15-9-7-14(8-10-15)17-5-1-2-12-22-17/h1-10,12H,11,13H2
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n/an/a 28n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27498
PNG
(10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13...)
Show SMILES Nc1ccc2C(=O)NC(=O)c3cccc1c23
Show InChI InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
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n/an/a 32n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27497
PNG
(2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...)
Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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n/an/a 62n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27713
PNG
(1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)buty...)
Show SMILES O=c1[nH]c(=O)c2ccccc2n1CCCCN1CCC(=CC1)c1ccccc1 |c:21|
Show InChI InChI=1S/C23H25N3O2/c27-22-20-10-4-5-11-21(20)26(23(28)24-22)15-7-6-14-25-16-12-19(13-17-25)18-8-2-1-3-9-18/h1-5,8-12H,6-7,13-17H2,(H,24,27,28)
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n/an/a 70n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27714
PNG
(5-fluoro-1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-...)
Show SMILES Fc1cccc2n(CCCCN3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12 |c:14|
Show InChI InChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)
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n/an/a 83n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27717
PNG
(4-{4-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2n[nH]c(=O)c3ccccc23)CC1 |t:8|
Show InChI InChI=1S/C23H24FN3O/c24-19-10-8-17(9-11-19)18-12-15-27(16-13-18)14-4-3-7-22-20-5-1-2-6-21(20)23(28)26-25-22/h1-2,5-6,8-12H,3-4,7,13-16H2,(H,26,28)
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n/an/a 84n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27718
PNG
(2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)...)
Show SMILES O=c1[nH]c2ccc(CCCN3CCC(=CC3)c3ccccc3)cc2c2ccccc12 |c:13|
Show InChI InChI=1S/C27H26N2O/c30-27-24-11-5-4-10-23(24)25-19-20(12-13-26(25)28-27)7-6-16-29-17-14-22(15-18-29)21-8-2-1-3-9-21/h1-5,8-14,19H,6-7,15-18H2,(H,28,30)
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Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27707
PNG
(4-{1-[3-(8-chloro-4-oxo-3,4-dihydroquinazolin-2-yl...)
Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(cc1)C#N)[nH]c2=O |c:16|
Show InChI InChI=1S/C23H21ClN4O/c24-20-4-1-3-19-22(20)26-21(27-23(19)29)5-2-12-28-13-10-18(11-14-28)17-8-6-16(15-25)7-9-17/h1,3-4,6-10H,2,5,11-14H2,(H,26,27,29)
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n/an/a 87n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(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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n/an/a 90n/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


(Mus musculus (Mouse))		BDBM27716
PNG
(4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)p...)
Show SMILES O=c1[nH]nc(CCCCN2CCC(=CC2)c2ccccc2)c2ccccc12 |c:12|
Show InChI InChI=1S/C23H25N3O/c27-23-21-11-5-4-10-20(21)22(24-25-23)12-6-7-15-26-16-13-19(14-17-26)18-8-2-1-3-9-18/h1-5,8-11,13H,6-7,12,14-17H2,(H,25,27)
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Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM50438603
PNG
(CHEMBL2414044)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-10-5-7-11(8-6-10)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)
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n/an/a 120n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2

Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM50438601
PNG
(CHEMBL2414046)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,17H2,(H,18,19)
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n/an/a 160n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2

Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27709
PNG
(2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...)
Show SMILES Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(F)cc1)[nH]c2=O |c:16|
Show InChI InChI=1S/C23H24FN3O/c1-16-4-2-5-20-22(16)25-21(26-23(20)28)6-3-13-27-14-11-18(12-15-27)17-7-9-19(24)10-8-17/h2,4-5,7-11H,3,6,12-15H2,1H3,(H,25,26,28)
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n/an/a 167n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM50438605
PNG
(CHEMBL2414042)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)10-6-4-9(5-7-10)14-8-12-11(15(22)21-14)2-1-3-13(12)20/h1-8H,20H2,(H,21,22)
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n/an/a 170n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2

Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27499
PNG
(1,11b-dihydro-[2H]benzopyrano[4,3,2-de]isoquinolin...)
Show SMILES O=C1NCC2c3ccccc3Oc3cccc1c23
Show InChI InChI=1S/C15H11NO2/c17-15-10-5-3-7-13-14(10)11(8-16-15)9-4-1-2-6-12(9)18-13/h1-7,11H,8H2,(H,16,17)
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n/an/a 186n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM50438600
PNG
(CHEMBL2414048)
Show SMILES Cc1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C10H10N2O/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-5H,11H2,1H3,(H,12,13)
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n/an/a 260n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2

Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27711
PNG
(2-{3-[4-(4-chlorophenyl)piperazin-1-yl]propyl}-3,4...)
Show SMILES Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C21H23ClN4O/c22-16-7-9-17(10-8-16)26-14-12-25(13-15-26)11-3-6-20-23-19-5-2-1-4-18(19)21(27)24-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,24,27)
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n/an/a 300n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27500
PNG
(5,6-dihydrophenanthridin-6-one | 5H-Phenanthridin-...)
Show SMILES O=c1[nH]c2ccccc2c2ccccc12
Show InChI InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
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n/an/a 331n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27501
PNG
(1,5-dihydroxyisoquinoline | CHEMBL338314 | ISQ | i...)
Show SMILES Oc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-5,11H,(H,10,12)
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n/an/a 447n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM50438604
PNG
(CHEMBL2414043)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c16-13-8-4-7-11-12(13)9-14(17-15(11)18)10-5-2-1-3-6-10/h1-9H,16H2,(H,17,18)
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n/an/a 480n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2

Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(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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n/an/a 500n/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


(Mus musculus (Mouse))		BDBM27708
PNG
(8-chloro-2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahyd...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8|
Show InChI InChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28)
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n/an/a 500n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(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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n/an/a 550n/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


(Mus musculus (Mouse))		BDBM27705
PNG
(2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)prop...)
Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccccc2)nc2ccccc12 |c:10|
Show InChI InChI=1S/C22H23N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,12H,6,11,13-16H2,(H,23,24,26)
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n/an/a 608n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27706
PNG
(8-chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-...)
Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:16|
Show InChI InChI=1S/C22H22ClN3O/c23-19-9-4-8-18-21(19)24-20(25-22(18)27)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)
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n/an/a 610n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27710
PNG
(5-Chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Clc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12 |c:14|
Show InChI InChI=1S/C22H22ClN3O/c23-18-8-4-9-19-21(18)22(27)25-20(24-19)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)
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n/an/a 630n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27712
PNG
(5-chloro-2-methyl-3,4-dihydroquinazolin-4-one | CH...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)[nH]1
Show InChI InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
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n/an/a 660n/an/an/an/an/a25



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...

Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
BindingDB Entry DOI: 10.7270/Q2610XPZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM50438602
PNG
(CHEMBL2414045)
Show SMILES COc1ccc(cc1)-c1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)
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n/an/a 730n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2

Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM50438599
PNG
(CHEMBL2414051)
Show SMILES CCc1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C11H12N2O/c1-2-7-6-9-8(11(14)13-7)4-3-5-10(9)12/h3-6H,2,12H2,1H3,(H,13,14)
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n/an/a 830n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2

Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(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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n/an/a 1.00E+3n/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


(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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n/an/a 1.05E+3n/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


(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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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2

Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(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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n/an/a 1.30E+3n/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


(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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n/an/a 1.50E+3n/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


(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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n/an/a 1.50E+3n/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


(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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n/an/a 1.60E+3n/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


(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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n/an/a 1.60E+3n/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


(Mus musculus (Mouse))		BDBM27502
PNG
(3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...)
Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12
Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
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n/an/a 1.74E+3n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(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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n/an/a 1.82E+3n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM27495
PNG
(6-chloro-2,3-dimethylimidazo[1,2-a]pyridin-8-ol | ...)
Show SMILES Cc1nc2c(O)cc(Cl)cn2c1C
Show InChI InChI=1S/C9H9ClN2O/c1-5-6(2)12-4-7(10)3-8(13)9(12)11-5/h3-4,13H,1-2H3
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n/an/a 1.95E+3n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...

Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
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