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Compile Data Set for Download or QSAR

Found 859 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 9'   
Target
(Institution)
LigandTarget
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))
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.


Citation and Details
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



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 1 hr incubation


Citation and Details
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 0.700n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 1 hr incubation


Citation and Details
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 1n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 1 hr incubation


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348537
PNG
(CHEMBL1801376)
Show SMILES Fc1cccc(Nc2cc3c4[nH]c5CNC(=O)c5c4ccc3cn2)c1
Show InChI InChI=1S/C19H13FN4O/c20-11-2-1-3-12(6-11)23-16-7-14-10(8-21-16)4-5-13-17-15(24-18(13)14)9-22-19(17)25/h1-8,24H,9H2,(H,21,23)(H,22,25)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50215054
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(6...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H38N6O2/c1-24-9-13-27(14-10-24)41-33(21-32(39-41)35(2,3)4)38-34(42)37-31-16-15-28(29-7-5-6-8-30(29)31)25-11-12-26(36-22-25)23-40-17-19-43-20-18-40/h5-16,21-22H,17-20,23H2,1-4H3,(H2,37,38,42)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of Jnk2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348534
PNG
(CHEMBL1801373)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12
Show InChI InChI=1S/C21H15N3O/c25-21-19-16-9-7-14-11-22-15(8-6-13-4-2-1-3-5-13)10-17(14)20(16)24-18(19)12-23-21/h1-11,24H,12H2,(H,23,25)/b8-6+
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50277623
PNG
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)
Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of JNK2alpha2 (unknown origin) by by exchange curve binding kinetic analysis


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352615
PNG
(CHEMBL1822146)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
Show InChI InChI=1S/C18H11BrF3N5O2S/c19-11-7-30-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-3-2-10(18(20,21)22)5-9(12)1-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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n/an/a 5n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50211428
PNG
(CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)
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n/an/a 5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK2beta2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)

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/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Jnk2alpha2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 7n/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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352609
PNG
(CHEMBL1822140)
Show SMILES Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1nnc[nH]1
Show InChI InChI=1S/C16H11BrN6O2S/c17-10-7-26-16(14(10)15-19-8-20-22-15)21-12(24)6-23-11-3-4-18-5-9(11)1-2-13(23)25/h1-5,7-8H,6H2,(H,21,24)(H,19,20,22)
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n/an/a 8n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50338293
PNG
(CHEMBL1682015 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...)
Show SMILES O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H14N6O2S/c19-7-12-9-27-18(16(12)17-20-10-21-23-17)22-14(25)8-24-13-4-2-1-3-11(13)5-6-15(24)26/h1-4,9-10H,5-6,8H2,(H,22,25)(H,20,21,23)
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n/an/a 8n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363465
PNG
(CHEMBL1946646)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27F2N7/c23-16-6-3-7-17(24)19(16)29-22-28-18-12-26-21(27-14-10-8-13(25)9-11-14)30-20(18)31(22)15-4-1-2-5-15/h3,6-7,12-15H,1-2,4-5,8-11,25H2,(H,28,29)(H,26,27,30)/t13-,14-
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n/an/a 9n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50338292
PNG
(CHEMBL1682014 | N-(4-chloro-3-(1H-1,2,4-triazol-5-...)
Show SMILES Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
Show InChI InChI=1S/C17H14ClN5O2S/c18-11-8-26-17(15(11)16-19-9-20-22-16)21-13(24)7-23-12-4-2-1-3-10(12)5-6-14(23)25/h1-4,8-9H,5-7H2,(H,21,24)(H,19,20,22)
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n/an/a 9n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Citation and Details
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/a 10n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of JNK2alpha2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352620
PNG
(CHEMBL1822151)
Show SMILES Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-3-1-10(6-20)5-11(13)2-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)
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n/an/a 10n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50364377
PNG
(CHEMBL1950304)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C23H26F3N7O2/c1-27-21(34)12-2-4-14(5-3-12)29-22-28-10-18-20(32-22)33(15-6-7-35-11-15)23(30-18)31-19-16(25)8-13(24)9-17(19)26/h8-10,12,14-15H,2-7,11H2,1H3,(H,27,34)(H,30,31)(H,28,29,32)/t12-,14-,15-/m0/s1
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n/an/a 10n/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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363455
PNG
(CHEMBL1946333)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)/t14-,16-
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n/an/a 10n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352621
PNG
(CHEMBL1822152)
Show SMILES Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-5-10(6-20)1-2-11(13)3-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)
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n/an/a 10n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348541
PNG
(CHEMBL1801380)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C25H24N4O3/c30-25-23-19-5-4-17-14-26-21(13-20(17)24(19)28-22(23)15-27-25)16-2-1-3-18(12-16)32-11-8-29-6-9-31-10-7-29/h1-5,12-14,28H,6-11,15H2,(H,27,30)
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
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/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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363466
PNG
(CHEMBL1946647)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H26F3N7/c23-12-9-16(24)19(17(25)10-12)30-22-29-18-11-27-21(28-14-7-5-13(26)6-8-14)31-20(18)32(22)15-3-1-2-4-15/h9-11,13-15H,1-8,26H2,(H,29,30)(H,27,28,31)/t13-,14-
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n/an/a 11n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352618
PNG
(CHEMBL1822149)
Show SMILES FC(F)(F)Oc1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
Show InChI InChI=1S/C18H11BrF3N5O3S/c19-11-7-31-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-3-2-10(30-18(20,21)22)5-9(12)1-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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n/an/a 12n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50089225
PNG
(CHEMBL3577877)
Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1
Show InChI InChI=1/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-
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n/an/a 12n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352624
PNG
(CHEMBL1822305)
Show SMILES Cn1cnc(n1)-c1c(Br)csc1NC(=O)CN1C(=O)CCc2ncccc12
Show InChI InChI=1S/C17H15BrN6O2S/c1-23-9-20-16(22-23)15-10(18)8-27-17(15)21-13(25)7-24-12-3-2-6-19-11(12)4-5-14(24)26/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,25)
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n/an/a 13n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50211430
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H29ClN6O/c1-16-6-10-30(11-7-16)24(32)31-12-8-17(9-13-31)28-23-27-15-20(25)22(29-23)19-14-26-21-5-3-2-4-18(19)21/h2-5,14-17,26H,6-13H2,1H3,(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363462
PNG
(CHEMBL1946340)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1
Show InChI InChI=1S/C24H25FN6O2/c1-33-18-12-6-15(7-13-18)27-23-26-14-21-22(30-23)31(16-8-10-17(32)11-9-16)24(29-21)28-20-5-3-2-4-19(20)25/h2-7,12-14,16-17,32H,8-11H2,1H3,(H,28,29)(H,26,27,30)/t16-,17+
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n/an/a 14n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50211443
PNG
((3S)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylam...)
Show SMILES CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-5-6-13(12-27)25-19-24-11-16(21)18(26-19)15-10-23-17-8-4-3-7-14(15)17/h3-4,7-8,10-11,13,23H,2,5-6,9,12H2,1H3,(H,22,28)(H,24,25,26)/t13-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352614
PNG
(CHEMBL1822145)
Show SMILES Fc1cc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2cc1F
Show InChI InChI=1S/C17H10BrF2N5O2S/c18-9-6-28-17(15(9)16-21-7-22-24-16)23-13(26)5-25-12-4-11(20)10(19)3-8(12)1-2-14(25)27/h1-4,6-7H,5H2,(H,23,26)(H,21,22,24)
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n/an/a 15n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50218682
PNG
(CHEMBL243575 | N-[2-(5-tert-butyl-3-methanesulfony...)
Show SMILES COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H33N5O5S2/c1-30(2,3)19-14-22(26(40-4)23(15-19)35-42(5,38)39)34-29(37)24-13-17-7-6-8-21(27(17)41-24)33-28(36)18-9-12-25(31-16-18)32-20-10-11-20/h6-9,12-16,20,35H,10-11H2,1-5H3,(H,31,32)(H,33,36)(H,34,37)
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n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of to JNK2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352628
PNG
(CHEMBL1822309)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3cscn3)c(=O)ccc2c1
Show InChI InChI=1S/C20H11F3N4O2S2/c21-20(22,23)13-2-3-15-11(5-13)1-4-17(29)27(15)7-16(28)26-19-18(12(6-24)8-31-19)14-9-30-10-25-14/h1-5,8-10H,7H2,(H,26,28)
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n/an/a 17n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50089223
PNG
(CHEMBL3577855)
Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O
Show InChI InChI=1/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)/t12-,13-
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n/an/a 18n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352608
PNG
(CHEMBL1822139)
Show SMILES O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C17H13N7O2S/c18-6-10-8-27-17(15(10)16-20-9-21-23-16)22-13(25)7-24-12-2-1-5-19-11(12)3-4-14(24)26/h1-2,5,8-9H,3-4,7H2,(H,22,25)(H,20,21,23)
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n/an/a 18n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
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.


Citation and Details
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 19n/an/an/an/an/an/a



Covalution Pharma BV

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a>20n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK 2 beta2 kinase


Bioorg Med Chem Lett 11: 2867-70 (2001)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352616
PNG
(CHEMBL1822147)
Show SMILES FC(F)(F)c1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
Show InChI InChI=1S/C18H11BrF3N5O2S/c19-11-7-30-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-5-10(18(20,21)22)3-1-9(12)2-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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n/an/a 21n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352610
PNG
(CHEMBL1822141)
Show SMILES FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2cn1
Show InChI InChI=1S/C17H10BrF3N6O2S/c18-9-6-30-16(14(9)15-23-7-24-26-15)25-12(28)5-27-10-3-11(17(19,20)21)22-4-8(10)1-2-13(27)29/h1-4,6-7H,5H2,(H,25,28)(H,23,24,26)
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n/an/a 21n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348535
PNG
(CHEMBL1801374)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
Show InChI InChI=1S/C26H24N4O2/c31-26-24-21-8-6-19-14-27-20(13-22(19)25(21)29-23(24)15-28-26)7-5-17-1-3-18(4-2-17)16-30-9-11-32-12-10-30/h1-8,13-14,29H,9-12,15-16H2,(H,28,31)/b7-5+
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50211436
PNG
(2-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)
Show SMILES CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H23ClN6O/c1-22-18(28)12-27-8-6-13(7-9-27)25-20-24-11-16(21)19(26-20)15-10-23-17-5-3-2-4-14(15)17/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,22,28)(H,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363464
PNG
(CHEMBL1946495)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@@H](CC4)C(N)=O)c3n2)cc1
Show InChI InChI=1S/C25H26FN7O2/c1-35-18-12-8-16(9-13-18)29-24-28-14-21-23(32-24)33(17-10-6-15(7-11-17)22(27)34)25(31-21)30-20-5-3-2-4-19(20)26/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3,(H2,27,34)(H,30,31)(H,28,29,32)/t15-,17+
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n/an/a 22n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50352606
PNG
(CHEMBL1822137)
Show SMILES FC(F)(F)c1ccc(CC(=O)Nc2scc(Cl)c2-c2nnc[nH]2)c2cccnc12
Show InChI InChI=1S/C18H11ClF3N5OS/c19-12-7-29-17(14(12)16-24-8-25-27-16)26-13(28)6-9-3-4-11(18(20,21)22)15-10(9)2-1-5-23-15/h1-5,7-8H,6H2,(H,26,28)(H,24,25,27)
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n/an/a 24n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50032749
PNG
(CHEMBL3355177)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H25ClN8O2/c26-22-6-1-2-7-23(22)32-25(36)31-19-14-29-34(16-19)21-5-3-4-17(12-21)24(35)30-18-13-28-33(15-18)20-8-10-27-11-9-20/h1-7,12-16,20,27H,8-11H2,(H,30,35)(H2,31,32,36)
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n/an/a 25n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
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