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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 3077   
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))
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 3n/an/an/an/a8.023



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))
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 1


(Homo sapiens (Human))
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 11n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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 13n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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 16n/an/an/an/a8.023



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
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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 21n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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 23n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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 33n/an/an/an/a8.023



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
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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 49n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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 60n/an/an/an/a8.023



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
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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 68n/an/an/an/a8.023



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))
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 1


(Homo sapiens (Human))
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 71n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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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n/an/a 82n/an/an/an/a8.023



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))
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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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))
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 1


(Homo sapiens (Human))
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 87n/an/an/an/a8.023



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))
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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n/an/a 90n/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 1


(Homo sapiens (Human))
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 101n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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 118n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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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n/an/a 120n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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 120n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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 131n/an/an/an/a8.023



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))
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))
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))
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))
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 1


(Homo sapiens (Human))
BDBM27715
PNG
(5-fluoro-1-[4-(4-phenylcyclohex-3-en-1-yl)butyl]-1...)
Show SMILES Fc1cccc2n(CCCCC3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12 |c:14|
Show InChI InChI=1S/C24H25FN2O2/c25-20-10-6-11-21-22(20)23(28)26-24(29)27(21)16-5-4-7-17-12-14-19(15-13-17)18-8-2-1-3-9-18/h1-3,6,8-11,14,17H,4-5,7,12-13,15-16H2,(H,26,28,29)
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n/an/a>1.00E+3n/an/an/an/a8.023



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 1


(Homo sapiens (Human))
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 1.20E+3n/an/an/an/a8.023



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))
BDBM27506
PNG
(3-AB | 3-aminobenzamide | CHEMBL81977)
Show SMILES NC(=O)c1cccc(N)c1
Show InChI InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
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n/an/a 9.81E+3n/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
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27506
PNG
(3-AB | 3-aminobenzamide | CHEMBL81977)
Show SMILES NC(=O)c1cccc(N)c1
Show InChI InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.12E+4n/an/an/an/a8.023



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