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Compile Data Set for Download or QSAR

Found 860 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 9'   
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
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM15868
PNG
(6-chloro-9-hydroxy-1,3-dimethyl-1H,4H,9H-pyrazolo[...)
Show SMILES Cc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3
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n/an/a 3.10E+3n/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 16: 2590-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.046
BindingDB Entry DOI: 10.7270/Q2XK8CSR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM15869
PNG
(6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)-1H...)
Show SMILES Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(F)(F)F
Show InChI InChI=1S/C12H7ClF3N3O2/c1-18-11-8(10(17-18)12(14,15)16)9(20)6-4-5(13)2-3-7(6)19(11)21/h2-4,21H,1H3
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n/an/a 3.00E+3n/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 16: 2590-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.046
BindingDB Entry DOI: 10.7270/Q2XK8CSR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/an/a 1.30E+5n/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/an/a 2.10E+5n/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 7.30E+3n/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 5.60E+4n/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/an/a 2.40E+5n/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104966
PNG
(US8569306, 3)
Show SMILES CC(C)(O)c1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1
Show InChI InChI=1S/C21H28N6O3S/c1-21(2,28)16-5-4-12-27-18(13-23-19(16)27)17-10-11-22-20(25-17)24-14-6-8-15(9-7-14)26-31(3,29)30/h4-5,10-15,26,28H,6-9H2,1-3H3,(H,22,24,25)/t14-,15-
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n/an/a 123n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104974
PNG
(US8569306, 11)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5O/c23-13-6-4-12(5-7-13)20-17-18-9-8-14(21-17)15-11-19-16-3-1-2-10-22(15)16/h1-3,8-13,23H,4-7H2,(H,18,20,21)/t12-,13-
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n/an/a 254n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104973
PNG
(US8569306, 10)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C18H22N6O2S/c1-27(25,26)23-14-7-5-13(6-8-14)21-18-19-10-9-15(22-18)16-12-20-17-4-2-3-11-24(16)17/h2-4,9-14,23H,5-8H2,1H3,(H,19,21,22)/t13-,14-
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n/an/a 214n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104972
PNG
(US8569306, 9)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12
Show InChI InChI=1S/C24H25N5O2/c30-19-10-8-18(9-11-19)27-24-25-13-12-20(28-24)21-15-26-23-22(7-4-14-29(21)23)31-16-17-5-2-1-3-6-17/h1-7,12-15,18-19,30H,8-11,16H2,(H,25,27,28)/t18-,19-
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n/an/a 49.4n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104971
PNG
(US8569306, 8)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12
Show InChI InChI=1S/C27H29N5O3/c1-2-34-26(33)20-10-12-21(13-11-20)30-27-28-15-14-22(31-27)23-17-29-25-24(9-6-16-32(23)25)35-18-19-7-4-3-5-8-19/h3-9,14-17,20-21H,2,10-13,18H2,1H3,(H,28,30,31)/t20-,21-
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n/an/a 104n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104970
PNG
(US8569306, 7)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12
Show InChI InChI=1S/C25H28N6O3S/c1-35(32,33)30-20-11-9-19(10-12-20)28-25-26-14-13-21(29-25)22-16-27-24-23(8-5-15-31(22)24)34-17-18-6-3-2-4-7-18/h2-8,13-16,19-20,30H,9-12,17H2,1H3,(H,26,28,29)/t19-,20-
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n/an/a 52.7n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104969
PNG
(US8569306, 6)
Show SMILES OC1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12
Show InChI InChI=1S/C30H34N6O3/c37-24-13-17-35(18-14-24)29(38)22-8-10-23(11-9-22)33-30-31-15-12-25(34-30)26-19-32-28-27(7-4-16-36(26)28)39-20-21-5-2-1-3-6-21/h1-7,12,15-16,19,22-24,37H,8-11,13-14,17-18,20H2,(H,31,33,34)/t22-,23-
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n/an/a 55.9n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104968
PNG
(US8569306, 5)
Show SMILES CS(=O)(=O)CCCOc1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1
Show InChI InChI=1S/C27H36N6O5S/c1-39(36,37)17-3-16-38-24-4-2-13-33-23(18-29-25(24)33)22-9-12-28-27(31-22)30-20-7-5-19(6-8-20)26(35)32-14-10-21(34)11-15-32/h2,4,9,12-13,18-21,34H,3,5-8,10-11,14-17H2,1H3,(H,28,30,31)/t19-,20-
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n/an/a 50.3n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104967
PNG
(US8569306, 4)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(cccn12)C(C)(C)O
Show InChI InChI=1S/C22H31N7O3S/c1-22(2,30)17-6-5-13-29-19(14-24-20(17)29)18-11-12-23-21(26-18)25-15-7-9-16(10-8-15)27-33(31,32)28(3)4/h5-6,11-16,27,30H,7-10H2,1-4H3,(H,23,25,26)/t15-,16-
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n/an/a 124n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104965
PNG
(US8569306, 2)
Show SMILES CC(C)(O)c1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1
Show InChI InChI=1S/C26H34N6O3/c1-26(2,35)20-4-3-13-32-22(16-28-23(20)32)21-9-12-27-25(30-21)29-18-7-5-17(6-8-18)24(34)31-14-10-19(33)11-15-31/h3-4,9,12-13,16-19,33,35H,5-8,10-11,14-15H2,1-2H3,(H,27,29,30)/t17-,18-
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n/an/a 369n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM104964
PNG
(US8569306, 1)
Show SMILES CC(C)(O)c1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@H](CS(C)(=O)=O)CC2)n1
Show InChI InChI=1S/C22H29N5O3S/c1-22(2,28)17-5-4-12-27-19(13-24-20(17)27)18-10-11-23-21(26-18)25-16-8-6-15(7-9-16)14-31(3,29)30/h4-5,10-13,15-16,28H,6-9,14H2,1-3H3,(H,23,25,26)/t15-,16-
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n/an/a 295n/an/an/an/a7.530



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
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))
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



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human JNK2


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
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))
BDBM50314147
PNG
(CHEMBL1094014 | trans-4-(4-(1-benzyl-5-(dimethylam...)
Show SMILES CN(C)c1c(cnn1Cc1ccccc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C22H28N6O/c1-27(2)21-19(14-24-28(21)15-16-6-4-3-5-7-16)20-12-13-23-22(26-20)25-17-8-10-18(29)11-9-17/h3-7,12-14,17-18,29H,8-11,15H2,1-2H3,(H,23,25,26)/t17-,18-
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6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
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 9


(Homo sapiens (human))
BDBM50314148
PNG
(CHEMBL1089007 | trans-4-(4-(3-(tetrahydro-2H-pyran...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1
Show InChI InChI=1S/C18H25N5O2/c24-14-5-3-13(4-6-14)21-18-19-8-7-16(22-18)15-10-20-23-17(15)12-2-1-9-25-11-12/h7-8,10,12-14,24H,1-6,9,11H2,(H,20,23)(H,19,21,22)/t12?,13-,14-
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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70n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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262n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2A2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
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 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 9


(Homo sapiens (human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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>4.00E+5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50431812
PNG
(CHEMBL2347053)
Show SMILES [O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H12N4O3/c23-18-14(12-5-1-3-7-15(12)20-18)9-11-10-19-21-17(11)13-6-2-4-8-16(13)22(24)25/h1-10H,(H,19,21)(H,20,23)
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n/an/a 5.03E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 10 mins by mobility shift assay


Bioorg Med Chem 21: 1724-34 (2013)


Article DOI: 10.1016/j.bmc.2013.01.047
BindingDB Entry DOI: 10.7270/Q2GQ704N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(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 120n/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
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM15911
PNG
(2-pyridinecarboxamide deriv. 8a | 4-Amino-5-cyano-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NC
Show InChI InChI=1S/C10H12N4O2/c1-3-16-10-6(5-11)7(12)4-8(14-10)9(15)13-2/h4H,3H2,1-2H3,(H2,12,14)(H,13,15)
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n/an/a 610n/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
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM15912
PNG
(2-pyridinecarboxamide deriv. 8b | 4-Amino-5-cyano-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H16N4O2/c1-2-22-16-12(9-17)13(18)8-14(20-16)15(21)19-10-11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H2,18,20)(H,19,21)
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n/an/a 190n/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
Mitogen-activated protein kinase 9


(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 120n/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
Mitogen-activated protein kinase 9


(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 53n/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
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
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



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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))
BDBM15917
PNG
(2-pyridinecarboxamide deriv. 8g | 4-amino-5-cyano-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)N(C)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H20N4O4S/c1-4-26-17-14(10-19)15(20)9-16(21-17)18(23)22(2)11-12-5-7-13(8-6-12)27(3,24)25/h5-9H,4,11H2,1-3H3,(H2,20,21)
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n/an/a>1.00E+4n/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
Mitogen-activated protein kinase 9


(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 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: 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))
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 68n/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
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM15920
PNG
(2-pyridinecarboxamide deriv. 15 | 4-Amino-6-chloro...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(Cl)n2)cc1
Show InChI InChI=1S/C15H13ClN4O3S/c1-24(22,23)10-4-2-9(3-5-10)8-19-15(21)13-6-12(18)11(7-17)14(16)20-13/h2-6H,8H2,1H3,(H2,18,20)(H,19,21)
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n/an/a 4.40E+3n/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
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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n/an/a 1.10E+3n/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))
BDBM15923
PNG
(Aminopyridine-Based Inhibitor 6b | N-(4-amino-5-cy...)
Show SMILES CCCCC(=O)Nc1cc(N)c(C#N)c(OCC)n1
Show InChI InChI=1S/C13H18N4O2/c1-3-5-6-12(18)16-11-7-10(15)9(8-14)13(17-11)19-4-2/h7H,3-6H2,1-2H3,(H3,15,16,17,18)
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n/an/a 690n/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))
BDBM15924
PNG
(Aminopyridine-Based Inhibitor 6c | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)C(C)C)cc(N)c1C#N
Show InChI InChI=1S/C12H16N4O2/c1-4-18-12-8(6-13)9(14)5-10(16-12)15-11(17)7(2)3/h5,7H,4H2,1-3H3,(H3,14,15,16,17)
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n/an/a 8.40E+3n/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))
BDBM15925
PNG
(Aminopyridine-Based Inhibitor 6d | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)CC(C)C)cc(N)c1C#N
Show InChI InChI=1S/C13H18N4O2/c1-4-19-13-9(7-14)10(15)6-11(17-13)16-12(18)5-8(2)3/h6,8H,4-5H2,1-3H3,(H3,15,16,17,18)
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n/an/a 3.50E+3n/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))
BDBM15926
PNG
(Aminopyridine-Based Inhibitor 6e | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N
Show InChI InChI=1S/C16H16N4O2/c1-2-22-16-12(10-17)13(18)9-14(20-16)19-15(21)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21)
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n/an/a 770n/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))
BDBM15927
PNG
(Aminopyridine-Based Inhibitor 6f | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2ccccc2Cl)cc(N)c1C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-2-23-16-11(9-18)13(19)8-14(21-16)20-15(22)7-10-5-3-4-6-12(10)17/h3-6,8H,2,7H2,1H3,(H3,19,20,21,22)
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n/an/a 4.90E+3n/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))
BDBM15928
PNG
(Aminopyridine-Based Inhibitor 6g | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cccc(Cl)c2)cc(N)c1C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-2-23-16-12(9-18)13(19)8-14(21-16)20-15(22)7-10-4-3-5-11(17)6-10/h3-6,8H,2,7H2,1H3,(H3,19,20,21,22)
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n/an/a 900n/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
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