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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'laughlin' and Initial = 'jd'   
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 10


(Homo sapiens (Human))
BDBM86634
PNG
(JNK-IN-9)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(C)c(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-9-24(32-27(37)7-5-17-36(2)3)18-25(20)28(38)33-22-10-12-23(13-11-22)34-29-31-16-14-26(35-29)21-6-4-15-30-19-21/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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n/an/a 0.5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86636
PNG
(JNK-IN-11)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C36H32N8O2/c1-43(2)22-9-15-32(45)38-29-13-8-12-26(24-29)35(46)39-27-16-18-28(19-17-27)40-36-37-21-20-30(41-36)33-31-14-6-7-23-44(31)42-34(33)25-10-4-3-5-11-25/h3-21,23-24H,22H2,1-2H3,(H,38,45)(H,39,46)(H,37,40,41)/b15-9+
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n/an/a 0.5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86635
PNG
(JNK-IN-10)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-9-21(18-26(20)34-27(37)7-5-17-36(2)3)28(38)32-23-10-12-24(13-11-23)33-29-31-16-14-25(35-29)22-6-4-15-30-19-22/h4-16,18-19H,17H2,1-3H3,(H,32,38)(H,34,37)(H,31,33,35)/b7-5+
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n/an/a 0.5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM86636
PNG
(JNK-IN-11)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C36H32N8O2/c1-43(2)22-9-15-32(45)38-29-13-8-12-26(24-29)35(46)39-27-16-18-28(19-17-27)40-36-37-21-20-30(41-36)33-31-14-6-7-23-44(31)42-34(33)25-10-4-3-5-11-25/h3-21,23-24H,22H2,1-2H3,(H,38,45)(H,39,46)(H,37,40,41)/b15-9+
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n/an/a 0.5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86632
PNG
(JNK-IN-7)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
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n/an/a 0.75n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86630
PNG
(JNK-IN-5)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H20N6O2/c1-2-23(32)28-21-7-3-5-17(15-21)24(33)29-19-8-10-20(11-9-19)30-25-27-14-12-22(31-25)18-6-4-13-26-16-18/h2-16H,1H2,(H,28,32)(H,29,33)(H,27,30,31)
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n/an/a 0.960n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86633
PNG
(JNK-IN-8)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+
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n/an/a 0.980n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM86636
PNG
(JNK-IN-11)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C36H32N8O2/c1-43(2)22-9-15-32(45)38-29-13-8-12-26(24-29)35(46)39-27-16-18-28(19-17-27)40-36-37-21-20-30(41-36)33-31-14-6-7-23-44(31)42-34(33)25-10-4-3-5-11-25/h3-21,23-24H,22H2,1-2H3,(H,38,45)(H,39,46)(H,37,40,41)/b15-9+
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n/an/a 1.34n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM86632
PNG
(JNK-IN-7)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
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n/an/a 1.54n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM86630
PNG
(JNK-IN-5)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H20N6O2/c1-2-23(32)28-21-7-3-5-17(15-21)24(33)29-19-8-10-20(11-9-19)30-25-27-14-12-22(31-25)18-6-4-13-26-16-18/h2-16H,1H2,(H,28,32)(H,29,33)(H,27,30,31)
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n/an/a 1.93n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM86632
PNG
(JNK-IN-7)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
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n/an/a 1.99n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM86630
PNG
(JNK-IN-5)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H20N6O2/c1-2-23(32)28-21-7-3-5-17(15-21)24(33)29-19-8-10-20(11-9-19)30-25-27-14-12-22(31-25)18-6-4-13-26-16-18/h2-16H,1H2,(H,28,32)(H,29,33)(H,27,30,31)
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n/an/a 2.11n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303639
PNG
(CHEMBL571626 | N-(4-(2-(4-(1H-1,2,3-Triazol-1-yl)p...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C19H17N7O2S/c1-29(27,28)24-16-4-2-14(3-5-16)18-10-11-20-19(23-18)22-15-6-8-17(9-7-15)26-13-12-21-25-26/h2-13,24H,1H3,(H,20,22,23)
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n/an/a 4n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM86633
PNG
(JNK-IN-8)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+
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n/an/a 4.67n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303638
PNG
(4-(4-(4-(Methylsulfonamido)phenyl)pyrimidin-2-ylam...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17N5O4S2/c1-27(23,24)22-14-4-2-12(3-5-14)16-10-11-19-17(21-16)20-13-6-8-15(9-7-13)28(18,25)26/h2-11,22H,1H3,(H2,18,25,26)(H,19,20,21)
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n/an/a 7n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86637
PNG
(JNK-IN-12)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C32H28N8O2S/c1-40(2)18-6-11-29(41)35-24-8-5-7-21(19-24)30(42)36-22-12-14-23(15-13-22)37-32-34-17-16-26(39-32)25(20-33)31-38-27-9-3-4-10-28(27)43-31/h3-17,19,25H,18H2,1-2H3,(H,35,41)(H,36,42)(H,34,37,39)/b11-6+
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n/an/a 11n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM86637
PNG
(JNK-IN-12)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C32H28N8O2S/c1-40(2)18-6-11-29(41)35-24-8-5-7-21(19-24)30(42)36-22-12-14-23(15-13-22)37-32-34-17-16-26(39-32)25(20-33)31-38-27-9-3-4-10-28(27)43-31/h3-17,19,25H,18H2,1-2H3,(H,35,41)(H,36,42)(H,34,37,39)/b11-6+
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n/an/a 11.3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM86637
PNG
(JNK-IN-12)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C32H28N8O2S/c1-40(2)18-6-11-29(41)35-24-8-5-7-21(19-24)30(42)36-22-12-14-23(15-13-22)37-32-34-17-16-26(39-32)25(20-33)31-38-27-9-3-4-10-28(27)43-31/h3-17,19,25H,18H2,1-2H3,(H,35,41)(H,36,42)(H,34,37,39)/b11-6+
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n/an/a 13n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303639
PNG
(CHEMBL571626 | N-(4-(2-(4-(1H-1,2,3-Triazol-1-yl)p...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C19H17N7O2S/c1-29(27,28)24-16-4-2-14(3-5-16)18-10-11-20-19(23-18)22-15-6-8-17(9-7-15)26-13-12-21-25-26/h2-13,24H,1H3,(H,20,22,23)
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n/an/a 16n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM86633
PNG
(JNK-IN-8)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+
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n/an/a 18.7n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303638
PNG
(4-(4-(4-(Methylsulfonamido)phenyl)pyrimidin-2-ylam...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17N5O4S2/c1-27(23,24)22-14-4-2-12(3-5-14)16-10-11-19-17(21-16)20-13-6-8-15(9-7-13)28(18,25)26/h2-11,22H,1H3,(H2,18,25,26)(H,19,20,21)
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n/an/a 19n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303644
PNG
(3-Morpholino-5-(2-(4-(3-(pyridin-2-yl)-1H-1,2,4-tr...)
Show SMILES N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)n1)N1CCOCC1
Show InChI InChI=1S/C28H23N9O/c29-18-20-15-21(17-24(16-20)36-11-13-38-14-12-36)25-8-10-31-28(34-25)33-22-4-6-23(7-5-22)37-19-32-27(35-37)26-3-1-2-9-30-26/h1-10,15-17,19H,11-14H2,(H,31,33,34)
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n/an/a 39n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303642
PNG
(3-(2-(4-(2-Methyl-2H-tetrazol-5-yl)phenylamino)pyr...)
Show SMILES Cn1nnc(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C23H21N9O/c1-31-29-22(28-30-31)17-2-4-19(5-3-17)26-23-25-7-6-21(27-23)18-12-16(15-24)13-20(14-18)32-8-10-33-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
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n/an/a 45n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303641
PNG
(3-(2-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenylamin...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C24H22N8O/c1-17-27-16-32(30-17)21-4-2-20(3-5-21)28-24-26-7-6-23(29-24)19-12-18(15-25)13-22(14-19)31-8-10-33-11-9-31/h2-7,12-14,16H,8-11H2,1H3,(H,26,28,29)
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n/an/a 54n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50169959
PNG
(2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)
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n/an/a 70n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303644
PNG
(3-Morpholino-5-(2-(4-(3-(pyridin-2-yl)-1H-1,2,4-tr...)
Show SMILES N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)n1)N1CCOCC1
Show InChI InChI=1S/C28H23N9O/c29-18-20-15-21(17-24(16-20)36-11-13-38-14-12-36)25-8-10-31-28(34-25)33-22-4-6-23(7-5-22)37-19-32-27(35-37)26-3-1-2-9-30-26/h1-10,15-17,19H,11-14H2,(H,31,33,34)
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n/an/a 79n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303641
PNG
(3-(2-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenylamin...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C24H22N8O/c1-17-27-16-32(30-17)21-4-2-20(3-5-21)28-24-26-7-6-23(29-24)19-12-18(15-25)13-22(14-19)31-8-10-33-11-9-31/h2-7,12-14,16H,8-11H2,1H3,(H,26,28,29)
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n/an/a 79n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303643
PNG
(4-(3-Morpholinophenyl)-N-(4-(3-(pyridin-3-yl)-1H-1...)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1
Show InChI InChI=1S/C27H24N8O/c1-3-20(17-24(5-1)34-13-15-36-16-14-34)25-10-12-29-27(32-25)31-22-6-8-23(9-7-22)35-19-30-26(33-35)21-4-2-11-28-18-21/h1-12,17-19H,13-16H2,(H,29,31,32)
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n/an/a 85n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303643
PNG
(4-(3-Morpholinophenyl)-N-(4-(3-(pyridin-3-yl)-1H-1...)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1
Show InChI InChI=1S/C27H24N8O/c1-3-20(17-24(5-1)34-13-15-36-16-14-34)25-10-12-29-27(32-25)31-22-6-8-23(9-7-22)35-19-30-26(33-35)21-4-2-11-28-18-21/h1-12,17-19H,13-16H2,(H,29,31,32)
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n/an/a 97n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303646
PNG
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-morpholino...)
Show SMILES Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1
Show InChI InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)
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n/an/a 99n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303645
PNG
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(F)cc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H30FN9O/c1-34-8-10-36(11-9-34)27-30-19-37(33-27)23-4-2-22(3-5-23)31-26-29-7-6-25(32-26)20-16-21(28)18-24(17-20)35-12-14-38-15-13-35/h2-7,16-19H,8-15H2,1H3,(H,29,31,32)
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n/an/a 102n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 110n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303640
PNG
(CHEMBL585725 | N-(4-(3-Methyl-1H-1,2,4-triazol-1-y...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C23H23N7O/c1-17-25-16-30(28-17)20-7-5-19(6-8-20)26-23-24-10-9-22(27-23)18-3-2-4-21(15-18)29-11-13-31-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,24,26,27)
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n/an/a 113n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50169959
PNG
(2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)
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n/an/a 120n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303637
PNG
(CHEMBL572283 | N-(4-(1H-1,2,3-Triazol-1-yl)phenyl)...)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C22H21N7O/c1-2-17(16-20(3-1)28-12-14-30-15-13-28)21-8-9-23-22(26-21)25-18-4-6-19(7-5-18)29-11-10-24-27-29/h1-11,16H,12-15H2,(H,23,25,26)
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n/an/a 123n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303645
PNG
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(F)cc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H30FN9O/c1-34-8-10-36(11-9-34)27-30-19-37(33-27)23-4-2-22(3-5-23)31-26-29-7-6-25(32-26)20-16-21(28)18-24(17-20)35-12-14-38-15-13-35/h2-7,16-19H,8-15H2,1H3,(H,29,31,32)
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n/an/a 133n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303642
PNG
(3-(2-(4-(2-Methyl-2H-tetrazol-5-yl)phenylamino)pyr...)
Show SMILES Cn1nnc(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C23H21N9O/c1-31-29-22(28-30-31)17-2-4-19(5-3-17)26-23-25-7-6-21(27-23)18-12-16(15-24)13-20(14-18)32-8-10-33-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
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n/an/a 140n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86631
PNG
(JNK-IN-6)
Show SMILES CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H22N6O2/c1-2-23(32)28-21-7-3-5-17(15-21)24(33)29-19-8-10-20(11-9-19)30-25-27-14-12-22(31-25)18-6-4-13-26-16-18/h3-16H,2H2,1H3,(H,28,32)(H,29,33)(H,27,30,31)
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n/an/a 148n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303646
PNG
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-morpholino...)
Show SMILES Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1
Show InChI InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)
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n/an/a 148n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50169959
PNG
(2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)
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n/an/a 150n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 190n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86638
PNG
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
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n/an/a 200n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50169959
PNG
(2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)
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n/an/a 220n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303647
PNG
(CHEMBL572282 | N-(4-(1H-1,2,4-Triazol-1-yl)phenyl)...)
Show SMILES N(c1ccc(cc1)-n1cncn1)c1nccc(n1)-c1ccccc1
Show InChI InChI=1S/C18H14N6/c1-2-4-14(5-3-1)17-10-11-20-18(23-17)22-15-6-8-16(9-7-15)24-13-19-12-21-24/h1-13H,(H,20,22,23)
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n/an/a 297n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303637
PNG
(CHEMBL572283 | N-(4-(1H-1,2,3-Triazol-1-yl)phenyl)...)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C22H21N7O/c1-2-17(16-20(3-1)28-12-14-30-15-13-28)21-8-9-23-22(26-21)25-18-4-6-19(7-5-18)29-11-10-24-27-29/h1-11,16H,12-15H2,(H,23,25,26)
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n/an/a 365n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303640
PNG
(CHEMBL585725 | N-(4-(3-Methyl-1H-1,2,4-triazol-1-y...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
Show InChI InChI=1S/C23H23N7O/c1-17-25-16-30(28-17)20-7-5-19(6-8-20)26-23-24-10-9-22(27-23)18-3-2-4-21(15-18)29-11-13-31-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,24,26,27)
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n/an/a 390n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303636
PNG
(4-(4-Phenylpyrimidin-2-ylamino)benzamide | CHEMBL5...)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21)
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n/an/a 491n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303636
PNG
(4-(4-Phenylpyrimidin-2-ylamino)benzamide | CHEMBL5...)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21)
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n/an/a 535n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86627
PNG
(JNK-IN-2)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-22-12-10-20(11-13-22)27(37)32-23-7-3-8-24(18-23)33-28-30-16-14-25(34-28)21-6-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
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n/an/a 709n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM86627
PNG
(JNK-IN-2)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-22-12-10-20(11-13-22)27(37)32-23-7-3-8-24(18-23)33-28-30-16-14-25(34-28)21-6-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
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n/an/a 809n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
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