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PubMed code 23498914

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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))
BDBM50430432
PNG
(CHEMBL2334705)
Show SMILES Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1
Show InChI InChI=1S/C30H28N6O2/c37-24-11-12-25-26(17-24)36(28(33-25)22-10-7-19-4-1-2-5-21(19)16-22)27-13-14-31-30(34-27)32-23-6-3-15-35(18-23)29(38)20-8-9-20/h1-2,4-5,7,10-14,16-17,20,23,37H,3,6,8-9,15,18H2,(H,31,32,34)/t23-/m1/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of JNK3 in human SH-SY5Y cells assessed as decrease in anisomycin-induced TNFalpha mRNA level incubated for 1 hr prior to anisomycin induc...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50432394
PNG
(CHEMBL2348581)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCNC2)c1
Show InChI InChI=1S/C23H23N5O/c29-19-7-3-5-16(13-19)23-27-20-8-1-2-9-21(20)28(23)18-10-12-25-22(14-18)26-17-6-4-11-24-15-17/h1-3,5,7-10,12-14,17,24,29H,4,6,11,15H2,(H,25,26)/t17-/m1/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Competitive inhibition of JNK3 (unknown origin) in presence of ATP


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50432394
PNG
(CHEMBL2348581)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCNC2)c1
Show InChI InChI=1S/C23H23N5O/c29-19-7-3-5-16(13-19)23-27-20-8-1-2-9-21(20)28(23)18-10-12-25-22(14-18)26-17-6-4-11-24-15-17/h1-3,5,7-10,12-14,17,24,29H,4,6,11,15H2,(H,25,26)/t17-/m1/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Competitive inhibition of JNK2 (unknown origin) in presence of ATP


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
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 1.00E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of JNK3 in human PBMCs assessed as decrease in LPS-induced TNFalpha mRNA level after 4 hrs by real-time reverse transcription-PCR analysis


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430452
PNG
(CHEMBL2334714)
Show SMILES Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(N[C@@H]2CCCNC2)c1
Show InChI InChI=1S/C27H25N5O/c33-23-9-10-25-24(16-23)31-27(20-8-7-18-4-1-2-5-19(18)14-20)32(25)22-11-13-29-26(15-22)30-21-6-3-12-28-17-21/h1-2,4-5,7-11,13-16,21,28,33H,3,6,12,17H2,(H,29,30)/t21-/m1/s1
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n/an/an/a 6.05E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430432
PNG
(CHEMBL2334705)
Show SMILES Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1
Show InChI InChI=1S/C30H28N6O2/c37-24-11-12-25-26(17-24)36(28(33-25)22-10-7-19-4-1-2-5-21(19)16-22)27-13-14-31-30(34-27)32-23-6-3-15-35(18-23)29(38)20-8-9-20/h1-2,4-5,7,10-14,16-17,20,23,37H,3,6,8-9,15,18H2,(H,31,32,34)/t23-/m1/s1
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n/an/an/a 46n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430435
PNG
(CHEMBL2334702)
Show SMILES Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C26H23N5O2/c32-21-7-8-23-22(16-21)29-25(19-6-5-17-3-1-2-4-18(17)15-19)31(23)24-9-12-27-26(30-24)28-20-10-13-33-14-11-20/h1-9,12,15-16,20,32H,10-11,13-14H2,(H,27,28,30)
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n/an/an/a 1.66E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430437
PNG
(CHEMBL2335069)
Show SMILES Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C27H25N5O/c33-22-12-13-24-23(17-22)30-26(20-11-10-18-6-4-5-7-19(18)16-20)32(24)25-14-15-28-27(31-25)29-21-8-2-1-3-9-21/h4-7,10-17,21,33H,1-3,8-9H2,(H,28,29,31)
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n/an/an/a 1.89E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430436
PNG
(CHEMBL2335070)
Show SMILES Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(NC4CCCCC4)n3)c2c1
Show InChI InChI=1S/C27H25N5O/c33-22-12-13-23-24(17-22)32(25-14-15-28-27(31-25)29-21-8-2-1-3-9-21)26(30-23)20-11-10-18-6-4-5-7-19(18)16-20/h4-7,10-17,21,33H,1-3,8-9H2,(H,28,29,31)
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n/an/an/a 3.17E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430443
PNG
(CHEMBL2334723)
Show SMILES Clc1ccc(cc1Cl)-c1nc2ccccc2n1-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H19Cl2N5O/c23-16-6-5-14(13-17(16)24)21-27-18-3-1-2-4-19(18)29(21)20-7-10-25-22(28-20)26-15-8-11-30-12-9-15/h1-7,10,13,15H,8-9,11-12H2,(H,25,26,28)
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n/an/an/a 2.18E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430455
PNG
(CHEMBL2334711)
Show SMILES O=C(C1CC1)N1CCC[C@H](C1)Nc1cc(ccn1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H29N5O/c37-31(22-12-13-22)35-17-5-8-25(20-35)33-29-19-26(15-16-32-29)36-28-10-4-3-9-27(28)34-30(36)24-14-11-21-6-1-2-7-23(21)18-24/h1-4,6-7,9-11,14-16,18-19,22,25H,5,8,12-13,17,20H2,(H,32,33)/t25-/m1/s1
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n/an/an/a 1.07E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430439
PNG
(CHEMBL2335067)
Show SMILES COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1
Show InChI InChI=1S/C31H30N6O2/c1-39-25-12-13-26-27(18-25)37(29(34-26)23-11-8-20-5-2-3-6-22(20)17-23)28-14-15-32-31(35-28)33-24-7-4-16-36(19-24)30(38)21-9-10-21/h2-3,5-6,8,11-15,17-18,21,24H,4,7,9-10,16,19H2,1H3,(H,32,33,35)/t24-/m1/s1
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n/an/an/a 1.17E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430441
PNG
(CHEMBL2335065)
Show SMILES O=C(C1CC1)N1CCC[C@H](C1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C30H28N6O/c37-29(21-12-13-21)35-17-5-8-24(19-35)32-30-31-16-15-27(34-30)36-26-10-4-3-9-25(26)33-28(36)23-14-11-20-6-1-2-7-22(20)18-23/h1-4,6-7,9-11,14-16,18,21,24H,5,8,12-13,17,19H2,(H,31,32,34)/t24-/m1/s1
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n/an/an/a 1.93E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430445
PNG
(CHEMBL2334721)
Show SMILES COc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C28H27N5O/c1-34-23-13-14-25-24(18-23)31-27(21-12-11-19-7-5-6-8-20(19)17-21)33(25)26-15-16-29-28(32-26)30-22-9-3-2-4-10-22/h5-8,11-18,22H,2-4,9-10H2,1H3,(H,29,30,32)
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n/an/an/a 743n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430446
PNG
(CHEMBL2334720)
Show SMILES C1CC(CCO1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H23N5O/c1-2-6-19-17-20(10-9-18(19)5-1)25-29-22-7-3-4-8-23(22)31(25)24-11-14-27-26(30-24)28-21-12-15-32-16-13-21/h1-11,14,17,21H,12-13,15-16H2,(H,27,28,30)
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n/an/an/a 2.33E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430454
PNG
(CHEMBL2334712)
Show SMILES Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C28H26N4O/c33-24-12-13-26-25(18-24)31-28(21-11-10-19-6-4-5-7-20(19)16-21)32(26)23-14-15-29-27(17-23)30-22-8-2-1-3-9-22/h4-7,10-18,22,33H,1-3,8-9H2,(H,29,30)
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n/an/an/a 2.45E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430458
PNG
(CHEMBL2334708)
Show SMILES C[C@H](O)CNc1cc(ccn1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H22N4O/c1-17(30)16-27-24-15-21(12-13-26-24)29-23-9-5-4-8-22(23)28-25(29)20-11-10-18-6-2-3-7-19(18)14-20/h2-15,17,30H,16H2,1H3,(H,26,27)/t17-/m0/s1
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n/an/an/a 1.27E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430448
PNG
(CHEMBL2334718)
Show SMILES Oc1ccc2n(c(nc2c1)-c1ccc(Cl)c(Cl)c1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C24H22Cl2N4O/c25-19-8-6-15(12-20(19)26)24-29-21-14-18(31)7-9-22(21)30(24)17-10-11-27-23(13-17)28-16-4-2-1-3-5-16/h6-14,16,31H,1-5H2,(H,27,28)
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n/an/an/a 1.38E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430451
PNG
(CHEMBL2334715)
Show SMILES Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)c1
Show InChI InChI=1S/C31H29N5O2/c37-26-11-12-28-27(18-26)34-30(23-10-7-20-4-1-2-5-22(20)16-23)36(28)25-13-14-32-29(17-25)33-24-6-3-15-35(19-24)31(38)21-8-9-21/h1-2,4-5,7,10-14,16-18,21,24,37H,3,6,8-9,15,19H2,(H,32,33)/t24-/m1/s1
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n/an/an/a 2.77E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430453
PNG
(CHEMBL2334713)
Show SMILES Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C27H24N4O2/c32-23-7-8-25-24(17-23)30-27(20-6-5-18-3-1-2-4-19(18)15-20)31(25)22-9-12-28-26(16-22)29-21-10-13-33-14-11-21/h1-9,12,15-17,21,32H,10-11,13-14H2,(H,28,29)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430447
PNG
(CHEMBL2334719)
Show SMILES C1CCC(CC1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H25N5/c1-2-10-22(11-3-1)29-27-28-17-16-25(31-27)32-24-13-7-6-12-23(24)30-26(32)21-15-14-19-8-4-5-9-20(19)18-21/h4-9,12-18,22H,1-3,10-11H2,(H,28,29,31)
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n/an/an/a 1.75E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430450
PNG
(CHEMBL2334716)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)c1
Show InChI InChI=1S/C27H27N5O2/c33-22-7-3-5-19(15-22)26-30-23-8-1-2-9-24(23)32(26)21-12-13-28-25(16-21)29-20-6-4-14-31(17-20)27(34)18-10-11-18/h1-3,5,7-9,12-13,15-16,18,20,33H,4,6,10-11,14,17H2,(H,28,29)/t20-/m1/s1
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n/an/an/a 2.64E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430459
PNG
(CHEMBL2334707)
Show SMILES C1CC(CCO1)Nc1cc(ccn1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H24N4O/c1-2-6-20-17-21(10-9-19(20)5-1)27-30-24-7-3-4-8-25(24)31(27)23-11-14-28-26(18-23)29-22-12-15-32-16-13-22/h1-11,14,17-18,22H,12-13,15-16H2,(H,28,29)
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n/an/an/a 4.65E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430433
PNG
(CHEMBL2334704)
Show SMILES Oc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1
Show InChI InChI=1S/C30H28N6O2/c37-24-11-12-26-25(17-24)33-28(22-10-7-19-4-1-2-5-21(19)16-22)36(26)27-13-14-31-30(34-27)32-23-6-3-15-35(18-23)29(38)20-8-9-20/h1-2,4-5,7,10-14,16-17,20,23,37H,3,6,8-9,15,18H2,(H,31,32,34)/t23-/m1/s1
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n/an/an/a 2.65E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430440
PNG
(CHEMBL2335066)
Show SMILES COc1ccc2n(c(nc2c1)-c1ccc2ccccc2c1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1
Show InChI InChI=1S/C31H30N6O2/c1-39-25-12-13-27-26(18-25)34-29(23-11-8-20-5-2-3-6-22(20)17-23)37(27)28-14-15-32-31(35-28)33-24-7-4-16-36(19-24)30(38)21-9-10-21/h2-3,5-6,8,11-15,17-18,21,24H,4,7,9-10,16,19H2,1H3,(H,32,33,35)/t24-/m1/s1
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n/an/an/a 2.91E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430449
PNG
(CHEMBL2334717)
Show SMILES C[C@H](O)CNc1cc(ccn1)-n1c(nc2ccccc12)-c1cccc(O)c1
Show InChI InChI=1S/C21H20N4O2/c1-14(26)13-23-20-12-16(9-10-22-20)25-19-8-3-2-7-18(19)24-21(25)15-5-4-6-17(27)11-15/h2-12,14,26-27H,13H2,1H3,(H,22,23)/t14-/m0/s1
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n/an/an/a 1.91E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50432395
PNG
(CHEMBL2348778)
Show SMILES COc1ccc2n(c(nc2c1)-c1ccc(C)c(Cl)c1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C26H27ClN4O/c1-17-8-9-18(14-22(17)27)26-30-23-16-21(32-2)10-11-24(23)31(26)20-12-13-28-25(15-20)29-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,28,29)
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n/an/an/a 1.81E+4n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430438
PNG
(CHEMBL2335068)
Show SMILES Clc1ccc(cc1Cl)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1
Show InChI InChI=1S/C26H24Cl2N6O/c27-19-10-9-17(14-20(19)28)24-31-21-5-1-2-6-22(21)34(24)23-11-12-29-26(32-23)30-18-4-3-13-33(15-18)25(35)16-7-8-16/h1-2,5-6,9-12,14,16,18H,3-4,7-8,13,15H2,(H,29,30,32)/t18-/m1/s1
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n/an/an/a 7.69E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430434
PNG
(CHEMBL2334703)
Show SMILES Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(NC4CCOCC4)n3)c2c1
Show InChI InChI=1S/C26H23N5O2/c32-21-7-8-22-23(16-21)31(24-9-12-27-26(30-24)28-20-10-13-33-14-11-20)25(29-22)19-6-5-17-3-1-2-4-18(17)15-19/h1-9,12,15-16,20,32H,10-11,13-14H2,(H,27,28,30)
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n/an/an/a 6.00E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430460
PNG
(CHEMBL2334706)
Show SMILES C1CCC(CC1)Nc1cc(ccn1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C28H26N4/c1-2-10-23(11-3-1)30-27-19-24(16-17-29-27)32-26-13-7-6-12-25(26)31-28(32)22-15-14-20-8-4-5-9-21(20)18-22/h4-9,12-19,23H,1-3,10-11H2,(H,29,30)
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n/an/an/a 5.26E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430442
PNG
(CHEMBL2335064)
Show SMILES C1CNC[C@@H](C1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H24N6/c1-2-7-19-16-20(12-11-18(19)6-1)25-30-22-9-3-4-10-23(22)32(25)24-13-15-28-26(31-24)29-21-8-5-14-27-17-21/h1-4,6-7,9-13,15-16,21,27H,5,8,14,17H2,(H,28,29,31)/t21-/m1/s1
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n/an/an/a 2.98E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50430444
PNG
(CHEMBL2334722)
Show SMILES COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(NC4CCCCC4)n3)c2c1
Show InChI InChI=1S/C28H27N5O/c1-34-23-13-14-24-25(18-23)33(26-15-16-29-28(32-26)30-22-9-3-2-4-10-22)27(31-24)21-12-11-19-7-5-6-8-20(19)17-21/h5-8,11-18,22H,2-4,9-10H2,1H3,(H,29,30,32)
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n/an/an/a 1.77E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%