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Compile Data Set for Download or QSAR

Found 18 hits of ph data with Target = 'Mitogen-activated protein kinase 9'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM15869
PNG
(6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)-1H...)
Show SMILES Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(F)(F)F
Show InChI InChI=1S/C12H7ClF3N3O2/c1-18-11-8(10(17-18)12(14,15)16)9(20)6-4-5(13)2-3-7(6)19(11)21/h2-4,21H,1H3
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PubMed
n/an/a 3.00E+3n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 16: 2590-4 (2006)


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


(Homo sapiens (human))
BDBM15868
PNG
(6-chloro-9-hydroxy-1,3-dimethyl-1H,4H,9H-pyrazolo[...)
Show SMILES Cc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3
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n/an/a 3.10E+3n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


Bioorg Med Chem Lett 16: 2590-4 (2006)


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


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



Ambit Biosciences

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


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


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



Ambit Biosciences

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


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


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



Ambit Biosciences

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


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


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



Ambit Biosciences

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


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


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



Ambit Biosciences

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


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


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



Hoffmann-La Roche, Inc.

US Patent


Assay Description
Inhibition assay using JNK kinase.


US Patent US8569306 (2013)


BindingDB Entry DOI: 10.7270/Q2XK8D6J
More data for this
Ligand-Target Pair