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Compile Data Set for Download or QSAR

Found 381 hits with Last Name = 'gum' and Initial = 'rj'   
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
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))
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))
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
Mitogen-activated protein kinase 9


(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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4n/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
Mitogen-activated protein kinase 9


(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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4n/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
Mitogen-activated protein kinase 9


(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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9n/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
Mitogen-activated protein kinase 9


(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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13n/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
Mitogen-activated protein kinase 10


(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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18n/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
Mitogen-activated protein kinase 10


(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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52n/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
Mitogen-activated protein kinase 10


(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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61n/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
Mitogen-activated protein kinase 10


(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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72n/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
Mitogen-activated protein kinase 9


(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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440n/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
Mitogen-activated protein kinase 10


(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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520n/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
Mitogen-activated protein kinase 9


(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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1.90E+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
Mitogen-activated protein kinase 10


(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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3.30E+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))
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)
Mitogen-activated protein kinase 9


(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 11n/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: 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))
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))
BDBM50194901
PNG
(CHEMBL220504 | N-(4-(methylsulfonyl)benzyl)-4-amin...)
Show SMILES CC(C)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H20N4O4S/c1-11(2)26-18-14(9-19)15(20)8-16(22-18)17(23)21-10-12-4-6-13(7-5-12)27(3,24)25/h4-8,11H,10H2,1-3H3,(H2,20,22)(H,21,23)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by ATF2 phosphorylation assay


Bioorg Med Chem Lett 16: 5723-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.097
BindingDB Entry DOI: 10.7270/Q28G8KBG
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))
BDBM50194868
PNG
((S)-N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6...)
Show SMILES C[C@@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21N5O4S/c1-11(10-24)22-17-14(8-19)15(20)7-16(23-17)18(25)21-9-12-3-5-13(6-4-12)28(2,26)27/h3-7,11,24H,9-10H2,1-2H3,(H,21,25)(H3,20,22,23)/t11-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by ATF2 phosphorylation assay


Bioorg Med Chem Lett 16: 5723-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.097
BindingDB Entry DOI: 10.7270/Q28G8KBG
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50194856
PNG
(CHEMBL374269 | N-(4-(methylsulfonyl)benzyl)-4-amin...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCC3CC3)n2)cc1
Show InChI InChI=1S/C19H20N4O4S/c1-28(25,26)14-6-4-12(5-7-14)10-22-18(24)17-8-16(21)15(9-20)19(23-17)27-11-13-2-3-13/h4-8,13H,2-3,10-11H2,1H3,(H2,21,23)(H,22,24)
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n/an/a 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by ATF2 phosphorylation assay


Bioorg Med Chem Lett 16: 5723-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.097
BindingDB Entry DOI: 10.7270/Q28G8KBG
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
Mitogen-activated protein kinase 9


(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 26n/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))
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
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50194868
PNG
((S)-N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6...)
Show SMILES C[C@@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21N5O4S/c1-11(10-24)22-17-14(8-19)15(20)7-16(23-17)18(25)21-9-12-3-5-13(6-4-12)28(2,26)27/h3-7,11,24H,9-10H2,1-2H3,(H,21,25)(H3,20,22,23)/t11-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2 by ATF2 phosphorylation assay


Bioorg Med Chem Lett 16: 5723-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.097
BindingDB Entry DOI: 10.7270/Q28G8KBG
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50194875
PNG
(CHEMBL220658 | N-(4-(methylsulfonyl)benzyl)-4-amin...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C18H19N5O3S/c1-27(25,26)13-6-2-11(3-7-13)10-21-18(24)16-8-15(20)14(9-19)17(23-16)22-12-4-5-12/h2-3,6-8,12H,4-5,10H2,1H3,(H,21,24)(H3,20,22,23)
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by ATF2 phosphorylation assay


Bioorg Med Chem Lett 16: 5723-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.097
BindingDB Entry DOI: 10.7270/Q28G8KBG
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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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))
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))
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))
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
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50194901
PNG
(CHEMBL220504 | N-(4-(methylsulfonyl)benzyl)-4-amin...)
Show SMILES CC(C)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H20N4O4S/c1-11(2)26-18-14(9-19)15(20)8-16(22-18)17(23)21-10-12-4-6-13(7-5-12)27(3,24)25/h4-8,11H,10H2,1-3H3,(H2,20,22)(H,21,23)
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n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2 by ATF2 phosphorylation assay


Bioorg Med Chem Lett 16: 5723-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.097
BindingDB Entry DOI: 10.7270/Q28G8KBG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(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 41n/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: 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))
BDBM50194890
PNG
(CHEMBL374193 | N-(4-(methylsulfonyl)benzyl)-4-amin...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(c2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H20N4O5S2/c1-32(28,29)16-8-6-14(7-9-16)13-25-22(27)20-11-19(24)18(12-23)21(26-20)15-4-3-5-17(10-15)33(2,30)31/h3-11H,13H2,1-2H3,(H2,24,26)(H,25,27)
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n/an/a 43n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by ATF2 phosphorylation assay


Bioorg Med Chem Lett 16: 5723-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.097
BindingDB Entry DOI: 10.7270/Q28G8KBG
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
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