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Compile Data Set for Download or QSAR

Found 201 hits of Enz. Inhib. data with enzyme = 'c-Jun N-terminal kinase, JNK' and Substrate = 'biotinylated GST-ATF2'   
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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15956
PNG
(Aminopyridine-Based Inhibitor 18b | N-(4-Amino-5-c...)
Show SMILES COc1cc(c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1)S(C)(=O)=O
Show InChI InChI=1S/C20H24N4O6S/c1-11(2)30-20-13(10-21)14(22)8-18(24-20)23-19(25)7-12-6-16(29-4)17(31(5,26)27)9-15(12)28-3/h6,8-9,11H,7H2,1-5H3,(H3,22,23,24,25)
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15908
PNG
(Aminopyridine-Based Inhibitor 6o | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
Show InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15976
PNG
(Aminopyridine-Based Inhibitor 35 | N-(4-Amino-5-ch...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1Cl
Show InChI InChI=1S/C18H22ClN3O6S/c1-5-28-18-17(19)11(20)8-15(22-18)21-16(23)7-10-6-13(27-3)14(29(4,24)25)9-12(10)26-2/h6,8-9H,5,7H2,1-4H3,(H3,20,21,22,23)
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15939
PNG
(Aminopyridine-Based Inhibitor 6s | N-(4-amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1C#N
Show InChI InChI=1S/C19H22N4O6S/c1-5-29-19-12(10-20)13(21)8-17(23-19)22-18(24)7-11-6-15(28-3)16(30(4,25)26)9-14(11)27-2/h6,8-9H,5,7H2,1-4H3,(H3,21,22,23,24)
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15907
PNG
(Aminopyridine-Based Inhibitor 6a | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(C)=O)cc(N)c1C#N
Show InChI InChI=1S/C10H12N4O2/c1-3-16-10-7(5-11)8(12)4-9(14-10)13-6(2)15/h4H,3H2,1-2H3,(H3,12,13,14,15)
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190n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15968
PNG
(Aminopyridine-Based Inhibitor 24 | N-(4-Amino-5-cy...)
Show SMILES CC(=O)Nc1cc(N)c(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O/c1-9(19)17-13-7-12(16)11(8-15)14(18-13)10-5-3-2-4-6-10/h2-7H,1H3,(H3,16,17,18,19)
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550n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15916
PNG
(2-pyridinecarboxamide deriv. 8f | 4-(5-{[(4-Amino-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(nc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H19N5O4/c1-2-31-21-16(10-23)17(24)9-19(27-21)20(28)26-12-13-3-8-18(25-11-13)14-4-6-15(7-5-14)22(29)30/h3-9,11H,2,12H2,1H3,(H2,24,27)(H,26,28)(H,29,30)
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n/an/a 4n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15978
PNG
(2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
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n/an/a 9n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15914
PNG
(2-pyridinecarboxamide deriv. 8d | 4-Amino-5-cyano-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C16H17N5O4S/c1-2-25-16-11(8-17)12(18)7-13(21-16)15(22)20-9-10-5-3-4-6-14(10)26(19,23)24/h3-7H,2,9H2,1H3,(H2,18,21)(H,20,22)(H2,19,23,24)
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n/an/a 12n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15956
PNG
(Aminopyridine-Based Inhibitor 18b | N-(4-Amino-5-c...)
Show SMILES COc1cc(c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1)S(C)(=O)=O
Show InChI InChI=1S/C20H24N4O6S/c1-11(2)30-20-13(10-21)14(22)8-18(24-20)23-19(25)7-12-6-16(29-4)17(31(5,26)27)9-15(12)28-3/h6,8-9,11H,7H2,1-5H3,(H3,22,23,24,25)
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15913
PNG
(2-pyridinecarboxamide deriv. 8c | 4-Amino-5-cyano-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18N4O4S/c1-3-25-17-13(9-18)14(19)8-15(21-17)16(22)20-10-11-4-6-12(7-5-11)26(2,23)24/h4-8H,3,10H2,1-2H3,(H2,19,21)(H,20,22)
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n/an/a 19n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16014
PNG
(2-({5-bromo-2-[(3-hydroxyphenyl)amino]pyrimidin-4-...)
Show SMILES OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1Br
Show InChI InChI=1S/C17H13BrN4O3/c18-13-9-19-17(20-10-4-3-5-11(23)8-10)22-15(13)21-14-7-2-1-6-12(14)16(24)25/h1-9,23H,(H,24,25)(H2,19,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16012
PNG
(2-({5-fluoro-2-[(3-hydroxyphenyl)amino]pyrimidin-4...)
Show SMILES OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1F
Show InChI InChI=1S/C17H13FN4O3/c18-13-9-19-17(20-10-4-3-5-11(23)8-10)22-15(13)21-14-7-2-1-6-12(14)16(24)25/h1-9,23H,(H,24,25)(H2,19,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15918
PNG
(2-pyridinecarboxamide deriv. 12 | 4-Amino-5-chloro...)
Show SMILES CCOc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H18ClN3O4S/c1-3-24-16-14(17)12(18)8-13(20-16)15(21)19-9-10-4-6-11(7-5-10)25(2,22)23/h4-8H,3,9H2,1-2H3,(H2,18,20)(H,19,21)
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n/an/a 24n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15993
PNG
(2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H14N4O3/c22-12-5-3-4-11(10-12)19-17-18-9-8-15(21-17)20-14-7-2-1-6-13(14)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)
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n/an/a 25n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15915
PNG
(2-pyridinecarboxamide deriv. 8e | 4-Amino-5-cyano-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1cccnc1
Show InChI InChI=1S/C15H15N5O2/c1-2-22-15-11(7-16)12(17)6-13(20-15)14(21)19-9-10-4-3-5-18-8-10/h3-6,8H,2,9H2,1H3,(H2,17,20)(H,19,21)
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n/an/a 26n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15997
PNG
(2-({2-[(3-fluorophenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1
Show InChI InChI=1S/C17H13FN4O2/c18-11-4-3-5-12(10-11)20-17-19-9-8-15(22-17)21-14-7-2-1-6-13(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15998
PNG
(2-({2-[(4-fluorophenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C17H13FN4O2/c18-11-5-7-12(8-6-11)20-17-19-10-9-15(22-17)21-14-4-2-1-3-13(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16013
PNG
(2-{[5-bromo-2-(phenylamino)pyrimidin-4-yl]amino}be...)
Show SMILES OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1Br
Show InChI InChI=1S/C17H13BrN4O2/c18-13-10-19-17(20-11-6-2-1-3-7-11)22-15(13)21-14-9-5-4-8-12(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16004
PNG
(2-({2-[(4-nitrophenyl)amino]pyrimidin-4-yl}amino)b...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H13N5O4/c23-16(24)13-3-1-2-4-14(13)20-15-9-10-18-17(21-15)19-11-5-7-12(8-6-11)22(25)26/h1-10H,(H,23,24)(H2,18,19,20,21)
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15995
PNG
(2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzamide ...)
Show SMILES NC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H15N5O/c18-16(23)13-8-4-5-9-14(13)21-15-10-11-19-17(22-15)20-12-6-2-1-3-7-12/h1-11H,(H2,18,23)(H2,19,20,21,22)
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n/an/a 34n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15996
PNG
(2-({2-[(2-fluorophenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN4O2/c18-12-6-2-4-8-14(12)21-17-19-10-9-15(22-17)20-13-7-3-1-5-11(13)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15938
PNG
(2-(4-Acetylamino-2,5-dimethoxyphenyl)-N-(4-amino-5...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(NC(C)=O)cc2OC)cc(N)c1C#N
Show InChI InChI=1S/C20H23N5O5/c1-5-30-20-13(10-21)14(22)8-18(25-20)24-19(27)7-12-6-17(29-4)15(23-11(2)26)9-16(12)28-3/h6,8-9H,5,7H2,1-4H3,(H,23,26)(H3,22,24,25,27)
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15994
PNG
(2-({2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C17H14N4O3/c22-12-7-5-11(6-8-12)19-17-18-10-9-15(21-17)20-14-4-2-1-3-13(14)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)
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n/an/a 35n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15976
PNG
(Aminopyridine-Based Inhibitor 35 | N-(4-Amino-5-ch...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1Cl
Show InChI InChI=1S/C18H22ClN3O6S/c1-5-28-18-17(19)11(20)8-15(22-18)21-16(23)7-10-6-13(27-3)14(29(4,24)25)9-12(10)26-2/h6,8-9H,5,7H2,1-4H3,(H3,20,21,22,23)
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n/an/a 36n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16005
PNG
(2-[(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C21H21N5O3/c27-20(28)17-3-1-2-4-18(17)24-19-9-10-22-21(25-19)23-15-5-7-16(8-6-15)26-11-13-29-14-12-26/h1-10H,11-14H2,(H,27,28)(H2,22,23,24,25)
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n/an/a 37n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15939
PNG
(Aminopyridine-Based Inhibitor 6s | N-(4-amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1C#N
Show InChI InChI=1S/C19H22N4O6S/c1-5-29-19-12(10-20)13(21)8-17(23-19)22-18(24)7-11-6-15(28-3)16(30(4,25)26)9-14(11)27-2/h6,8-9H,5,7H2,1-4H3,(H3,21,22,23,24)
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n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15908
PNG
(Aminopyridine-Based Inhibitor 6o | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
Show InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
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n/an/a 45n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15908
PNG
(Aminopyridine-Based Inhibitor 6o | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
Show InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
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n/an/a 45n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16006
PNG
(2-{[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino}b...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1
Show InChI InChI=1S/C18H14N6O2/c25-17(26)13-3-1-2-4-14(13)22-16-7-8-19-18(23-16)21-12-6-5-11-10-20-24-15(11)9-12/h1-10H,(H,20,24)(H,25,26)(H2,19,21,22,23)
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n/an/a 46n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15991
PNG
(2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzoic ac...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H14N4O2/c22-16(23)13-8-4-5-9-14(13)20-15-10-11-18-17(21-15)19-12-6-2-1-3-7-12/h1-11H,(H,22,23)(H2,18,19,20,21)
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n/an/a 48n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16007
PNG
(2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}b...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C18H14N6O2/c25-17(26)13-3-1-2-4-15(13)22-16-7-8-19-18(23-16)21-12-5-6-14-11(9-12)10-20-24-14/h1-10H,(H,20,24)(H,25,26)(H2,19,21,22,23)
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n/an/a 55n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15952
PNG
(1-[(4-Amino-5-cyano-6-ethoxypyridin-2-ylcarbamoyl)...)
Show SMILES CCCCNC(=O)C1CCN(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)CC1
Show InChI InChI=1S/C20H30N6O3/c1-3-5-8-23-19(28)14-6-9-26(10-7-14)13-18(27)24-17-11-16(22)15(12-21)20(25-17)29-4-2/h11,14H,3-10,13H2,1-2H3,(H,23,28)(H3,22,24,25,27)
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n/an/a 69n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15941
PNG
(Aminopyridine-Based Inhibitor 6u | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)[N+]([O-])=O)cc(N)c1C#N
Show InChI InChI=1S/C18H19N5O6/c1-4-29-18-11(9-19)12(20)7-16(22-18)21-17(24)6-10-5-15(28-3)13(23(25)26)8-14(10)27-2/h5,7-8H,4,6H2,1-3H3,(H3,20,21,22,24)
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n/an/a 69n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15909
PNG
(2-pyridinecarboxamide deriv. 3 | 4-Amino-5-cyano-6...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1cc(OC)ccc1OC
Show InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(9-19)14(20)8-15(22-18)17(23)21-10-11-7-12(24-2)5-6-16(11)25-3/h5-8H,4,10H2,1-3H3,(H2,20,22)(H,21,23)
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n/an/a 71n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15962
PNG
(Aminopyridine-Based Inhibitor 20a | N-[4-Amino-5-c...)
Show SMILES COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCO)n2)c1
Show InChI InChI=1S/C18H20N4O5/c1-25-12-3-4-15(26-2)11(7-12)8-17(24)21-16-9-14(20)13(10-19)18(22-16)27-6-5-23/h3-4,7,9,23H,5-6,8H2,1-2H3,(H3,20,21,22,24)
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n/an/a 74n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15919
PNG
(2-pyridinecarboxamide deriv. 13 | 4-Amino-5-chloro...)
Show SMILES CC(C)Oc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H20ClN3O4S/c1-10(2)25-17-15(18)13(19)8-14(21-17)16(22)20-9-11-4-6-12(7-5-11)26(3,23)24/h4-8,10H,9H2,1-3H3,(H2,19,21)(H,20,22)
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n/an/a 75n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15992
PNG
(2-({2-[(2-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2O)n1
Show InChI InChI=1S/C17H14N4O3/c22-14-8-4-3-7-13(14)20-17-18-10-9-15(21-17)19-12-6-2-1-5-11(12)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)
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n/an/a 76n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15940
PNG
(Aminopyridine-Based Inhibitor 6t | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(Br)cc2OC)cc(N)c1C#N
Show InChI InChI=1S/C18H19BrN4O4/c1-4-27-18-11(9-20)13(21)8-16(23-18)22-17(24)6-10-5-15(26-3)12(19)7-14(10)25-2/h5,7-8H,4,6H2,1-3H3,(H3,21,22,23,24)
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n/an/a 77n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16011
PNG
(2-{[5-fluoro-2-(phenylamino)pyrimidin-4-yl]amino}b...)
Show SMILES OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F
Show InChI InChI=1S/C17H13FN4O2/c18-13-10-19-17(20-11-6-2-1-3-7-11)22-15(13)21-14-9-5-4-8-12(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 82n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16008
PNG
(2-{[2-(quinolin-6-ylamino)pyrimidin-4-yl]amino}ben...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3ncccc3c2)n1
Show InChI InChI=1S/C20H15N5O2/c26-19(27)15-5-1-2-6-17(15)24-18-9-11-22-20(25-18)23-14-7-8-16-13(12-14)4-3-10-21-16/h1-12H,(H,26,27)(H2,22,23,24,25)
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n/an/a 85n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15953
PNG
(1-[(4-Amino-5-cyano-6-ethoxypyridin-2ylcarbamoyl)m...)
Show SMILES CCOc1nc(NC(=O)CN2CCC(CC2)C(=O)NC(C)C)cc(N)c1C#N
Show InChI InChI=1S/C19H28N6O3/c1-4-28-19-14(10-20)15(21)9-16(24-19)23-17(26)11-25-7-5-13(6-8-25)18(27)22-12(2)3/h9,12-13H,4-8,11H2,1-3H3,(H,22,27)(H3,21,23,24,26)
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n/an/a 87n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16000
PNG
(2-({2-[(3-fluoro-4-methylphenyl)amino]pyrimidin-4-...)
Show SMILES Cc1ccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)cc1F
Show InChI InChI=1S/C18H15FN4O2/c1-11-6-7-12(10-14(11)19)21-18-20-9-8-16(23-18)22-15-5-3-2-4-13(15)17(24)25/h2-10H,1H3,(H,24,25)(H2,20,21,22,23)
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n/an/a 93n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15963
PNG
(Aminopyridine-Based Inhibitor 20b | N-[4-Amino-5-c...)
Show SMILES COCCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
Show InChI InChI=1S/C19H22N4O5/c1-25-6-7-28-19-14(11-20)15(21)10-17(23-19)22-18(24)9-12-8-13(26-2)4-5-16(12)27-3/h4-5,8,10H,6-7,9H2,1-3H3,(H3,21,22,23,24)
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n/an/a 110n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15933
PNG
(Aminopyridine-Based Inhibitor 6l | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2ccccc2OC)cc(N)c1C#N
Show InChI InChI=1S/C17H18N4O3/c1-3-24-17-12(10-18)13(19)9-15(21-17)20-16(22)8-11-6-4-5-7-14(11)23-2/h4-7,9H,3,8H2,1-2H3,(H3,19,20,21,22)
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n/an/a 120n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15999
PNG
(2-({2-[(3-methylphenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES Cc1cccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)c1
Show InChI InChI=1S/C18H16N4O2/c1-12-5-4-6-13(11-12)20-18-19-10-9-16(22-18)21-15-8-3-2-7-14(15)17(23)24/h2-11H,1H3,(H,23,24)(H2,19,20,21,22)
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n/an/a 157n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15948
PNG
(Aminopyridine-Based Inhibitor 28d | N-(4-Amino-5-c...)
Show SMILES CCCN(CCO)CC(=O)Nc1cc(N)c(C#N)c(OCC)n1
Show InChI InChI=1S/C15H23N5O3/c1-3-5-20(6-7-21)10-14(22)18-13-8-12(17)11(9-16)15(19-13)23-4-2/h8,21H,3-7,10H2,1-2H3,(H3,17,18,19,22)
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n/an/a 160n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15935
PNG
(Aminopyridine-Based Inhibitor 6n | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2ccc(OC)cc2)cc(N)c1C#N
Show InChI InChI=1S/C17H18N4O3/c1-3-24-17-13(10-18)14(19)9-15(21-17)20-16(22)8-11-4-6-12(23-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H3,19,20,21,22)
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n/an/a 180n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16003
PNG
(2-[(2-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)11-5-7-12(8-6-11)23-17-22-10-9-15(25-17)24-14-4-2-1-3-13(14)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25)
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n/an/a 186n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15932
PNG
(Aminopyridine-Based Inhibitor 6k | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2ccc(C)cc2)cc(N)c1C#N
Show InChI InChI=1S/C17H18N4O2/c1-3-23-17-13(10-18)14(19)9-15(21-17)20-16(22)8-12-6-4-11(2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H3,19,20,21,22)
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n/an/a 190n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
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