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PubMed code 17107797

Compile data set for download or QSAR
Found 38 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15978
PNG
(2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
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n/an/a 9n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16014
PNG
(2-({5-bromo-2-[(3-hydroxyphenyl)amino]pyrimidin-4-...)
Show SMILES OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1Br
Show InChI InChI=1S/C17H13BrN4O3/c18-13-9-19-17(20-10-4-3-5-11(23)8-10)22-15(13)21-14-7-2-1-6-12(14)16(24)25/h1-9,23H,(H,24,25)(H2,19,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16012
PNG
(2-({5-fluoro-2-[(3-hydroxyphenyl)amino]pyrimidin-4...)
Show SMILES OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1F
Show InChI InChI=1S/C17H13FN4O3/c18-13-9-19-17(20-10-4-3-5-11(23)8-10)22-15(13)21-14-7-2-1-6-12(14)16(24)25/h1-9,23H,(H,24,25)(H2,19,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15993
PNG
(2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H14N4O3/c22-12-5-3-4-11(10-12)19-17-18-9-8-15(21-17)20-14-7-2-1-6-13(14)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)
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n/an/a 25n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15997
PNG
(2-({2-[(3-fluorophenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1
Show InChI InChI=1S/C17H13FN4O2/c18-11-4-3-5-12(10-11)20-17-19-9-8-15(22-17)21-14-7-2-1-6-13(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15998
PNG
(2-({2-[(4-fluorophenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C17H13FN4O2/c18-11-5-7-12(8-6-11)20-17-19-10-9-15(22-17)21-14-4-2-1-3-13(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16013
PNG
(2-{[5-bromo-2-(phenylamino)pyrimidin-4-yl]amino}be...)
Show SMILES OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1Br
Show InChI InChI=1S/C17H13BrN4O2/c18-13-10-19-17(20-11-6-2-1-3-7-11)22-15(13)21-14-9-5-4-8-12(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16004
PNG
(2-({2-[(4-nitrophenyl)amino]pyrimidin-4-yl}amino)b...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H13N5O4/c23-16(24)13-3-1-2-4-14(13)20-15-9-10-18-17(21-15)19-11-5-7-12(8-6-11)22(25)26/h1-10H,(H,23,24)(H2,18,19,20,21)
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15995
PNG
(2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzamide ...)
Show SMILES NC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H15N5O/c18-16(23)13-8-4-5-9-14(13)21-15-10-11-19-17(22-15)20-12-6-2-1-3-7-12/h1-11H,(H2,18,23)(H2,19,20,21,22)
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n/an/a 34n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15994
PNG
(2-({2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C17H14N4O3/c22-12-7-5-11(6-8-12)19-17-18-10-9-15(21-17)20-14-4-2-1-3-13(14)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)
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n/an/a 35n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15996
PNG
(2-({2-[(2-fluorophenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN4O2/c18-12-6-2-4-8-14(12)21-17-19-10-9-15(22-17)20-13-7-3-1-5-11(13)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16005
PNG
(2-[(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C21H21N5O3/c27-20(28)17-3-1-2-4-18(17)24-19-9-10-22-21(25-19)23-15-5-7-16(8-6-15)26-11-13-29-14-12-26/h1-10H,11-14H2,(H,27,28)(H2,22,23,24,25)
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n/an/a 37n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16006
PNG
(2-{[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino}b...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1
Show InChI InChI=1S/C18H14N6O2/c25-17(26)13-3-1-2-4-14(13)22-16-7-8-19-18(23-16)21-12-6-5-11-10-20-24-15(11)9-12/h1-10H,(H,20,24)(H,25,26)(H2,19,21,22,23)
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n/an/a 46n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15991
PNG
(2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzoic ac...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H14N4O2/c22-16(23)13-8-4-5-9-14(13)20-15-10-11-18-17(21-15)19-12-6-2-1-3-7-12/h1-11H,(H,22,23)(H2,18,19,20,21)
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n/an/a 48n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16007
PNG
(2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}b...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C18H14N6O2/c25-17(26)13-3-1-2-4-15(13)22-16-7-8-19-18(23-16)21-12-5-6-14-11(9-12)10-20-24-14/h1-10H,(H,20,24)(H,25,26)(H2,19,21,22,23)
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n/an/a 55n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15992
PNG
(2-({2-[(2-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2O)n1
Show InChI InChI=1S/C17H14N4O3/c22-14-8-4-3-7-13(14)20-17-18-10-9-15(21-17)19-12-6-2-1-5-11(12)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)
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n/an/a 76n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16011
PNG
(2-{[5-fluoro-2-(phenylamino)pyrimidin-4-yl]amino}b...)
Show SMILES OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F
Show InChI InChI=1S/C17H13FN4O2/c18-13-10-19-17(20-11-6-2-1-3-7-11)22-15(13)21-14-9-5-4-8-12(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
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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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16008
PNG
(2-{[2-(quinolin-6-ylamino)pyrimidin-4-yl]amino}ben...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3ncccc3c2)n1
Show InChI InChI=1S/C20H15N5O2/c26-19(27)15-5-1-2-6-17(15)24-18-9-11-22-20(25-18)23-14-7-8-16-13(12-14)4-3-10-21-16/h1-12H,(H,26,27)(H2,22,23,24,25)
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n/an/a 85n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16000
PNG
(2-({2-[(3-fluoro-4-methylphenyl)amino]pyrimidin-4-...)
Show SMILES Cc1ccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)cc1F
Show InChI InChI=1S/C18H15FN4O2/c1-11-6-7-12(10-14(11)19)21-18-20-9-8-16(23-18)22-15-5-3-2-4-13(15)17(24)25/h2-10H,1H3,(H,24,25)(H2,20,21,22,23)
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n/an/a 93n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15999
PNG
(2-({2-[(3-methylphenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES Cc1cccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)c1
Show InChI InChI=1S/C18H16N4O2/c1-12-5-4-6-13(11-12)20-18-19-10-9-16(22-18)21-15-8-3-2-7-14(15)17(23)24/h2-11H,1H3,(H,23,24)(H2,19,20,21,22)
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n/an/a 157n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16003
PNG
(2-[(2-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)11-5-7-12(8-6-11)23-17-22-10-9-15(25-17)24-14-4-2-1-3-13(14)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25)
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n/an/a 186n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16010
PNG
(3-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES OC(=O)c1cc2ccccc2cc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C21H16N4O3/c26-16-7-3-6-15(12-16)23-21-22-9-8-19(25-21)24-18-11-14-5-2-1-4-13(14)10-17(18)20(27)28/h1-12,26H,(H,27,28)(H2,22,23,24,25)
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n/an/a 204n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16001
PNG
(2-({2-[(3-hydroxy-2-methylphenyl)amino]pyrimidin-4...)
Show SMILES Cc1c(O)cccc1Nc1nccc(Nc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C18H16N4O3/c1-11-13(7-4-8-15(11)23)21-18-19-10-9-16(22-18)20-14-6-3-2-5-12(14)17(24)25/h2-10,23H,1H3,(H,24,25)(H2,19,20,21,22)
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n/an/a 278n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15985
PNG
(2-[(2-phenoxypyrimidin-4-yl)amino]benzoic acid | 4...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Oc2ccccc2)n1
Show InChI InChI=1S/C17H13N3O3/c21-16(22)13-8-4-5-9-14(13)19-15-10-11-18-17(20-15)23-12-6-2-1-3-7-12/h1-11H,(H,21,22)(H,18,19,20)
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n/an/a 300n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16002
PNG
(2-[(2-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)11-4-3-5-12(10-11)23-17-22-9-8-15(25-17)24-14-7-2-1-6-13(14)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25)
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n/an/a 391n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15988
PNG
(2-{[2-(cyclohexylamino)pyrimidin-4-yl]amino}benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C17H20N4O2/c22-16(23)13-8-4-5-9-14(13)20-15-10-11-18-17(21-15)19-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,22,23)(H2,18,19,20,21)
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n/an/a 400n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15983
PNG
(2-{[2-(2-methylpropoxy)pyrimidin-4-yl]amino}benzoi...)
Show SMILES CC(C)COc1nccc(Nc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C15H17N3O3/c1-10(2)9-21-15-16-8-7-13(18-15)17-12-6-4-3-5-11(12)14(19)20/h3-8,10H,9H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 700n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15984
PNG
(2-{[2-(cyclohexylmethoxy)pyrimidin-4-yl]amino}benz...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(OCC2CCCCC2)n1
Show InChI InChI=1S/C18H21N3O3/c22-17(23)14-8-4-5-9-15(14)20-16-10-11-19-18(21-16)24-12-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,22,23)(H,19,20,21)
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n/an/a 700n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16009
PNG
(3-{[2-(phenylamino)pyrimidin-4-yl]amino}naphthalen...)
Show SMILES OC(=O)c1cc2ccccc2cc1Nc1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H16N4O2/c26-20(27)17-12-14-6-4-5-7-15(14)13-18(17)24-19-10-11-22-21(25-19)23-16-8-2-1-3-9-16/h1-13H,(H,26,27)(H2,22,23,24,25)
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n/an/a 705n/an/an/an/an/an/a



Abbott Laboratories



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


Bioorg Med Chem Lett 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15981
PNG
(2-{[2-(pentyloxy)pyrimidin-4-yl]amino}benzoic acid...)
Show SMILES CCCCCOc1nccc(Nc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C16H19N3O3/c1-2-3-6-11-22-16-17-10-9-14(19-16)18-13-8-5-4-7-12(13)15(20)21/h4-5,7-10H,2-3,6,11H2,1H3,(H,20,21)(H,17,18,19)
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n/an/a 1.10E+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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15977
PNG
(2-[(2-butoxypyrimidin-4-yl)amino]benzoic acid | 4-...)
Show SMILES CCCCOc1nccc(Nc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C15H17N3O3/c1-2-3-10-21-15-16-9-8-13(18-15)17-12-7-5-4-6-11(12)14(19)20/h4-9H,2-3,10H2,1H3,(H,19,20)(H,16,17,18)
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n/an/a 1.90E+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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15980
PNG
(2-[(2-propoxypyrimidin-4-yl)amino]benzoic acid | 4...)
Show SMILES CCCOc1nccc(Nc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C14H15N3O3/c1-2-9-20-14-15-8-7-12(17-14)16-11-6-4-3-5-10(11)13(18)19/h3-8H,2,9H2,1H3,(H,18,19)(H,15,16,17)
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n/an/a 2.30E+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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15986
PNG
(2-{[2-(butylamino)pyrimidin-4-yl]amino}benzoic aci...)
Show SMILES CCCCNc1nccc(Nc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C15H18N4O2/c1-2-3-9-16-15-17-10-8-13(19-15)18-12-7-5-4-6-11(12)14(20)21/h4-8,10H,2-3,9H2,1H3,(H,20,21)(H2,16,17,18,19)
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n/an/a 2.60E+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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15989
PNG
(2-{[2-(azepan-1-yl)pyrimidin-4-yl]amino}benzoic ac...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(n1)N1CCCCCC1
Show InChI InChI=1S/C17H20N4O2/c22-16(23)13-7-3-4-8-14(13)19-15-9-10-18-17(20-15)21-11-5-1-2-6-12-21/h3-4,7-10H,1-2,5-6,11-12H2,(H,22,23)(H,18,19,20)
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n/an/a 1.54E+4n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15987
PNG
(2-{[2-(benzylamino)pyrimidin-4-yl]amino}benzoic ac...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(NCc2ccccc2)n1
Show InChI InChI=1S/C18H16N4O2/c23-17(24)14-8-4-5-9-15(14)21-16-10-11-19-18(22-16)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,23,24)(H2,19,20,21,22)
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n/an/a 1.82E+4n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15979
PNG
(2-[(2-ethoxypyrimidin-4-yl)amino]benzoic acid | 4-...)
Show SMILES CCOc1nccc(Nc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C13H13N3O3/c1-2-19-13-14-8-7-11(16-13)15-10-6-4-3-5-9(10)12(17)18/h3-8H,2H2,1H3,(H,17,18)(H,14,15,16)
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n/an/a 4.47E+4n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15982
PNG
(2-{[2-(hexyloxy)pyrimidin-4-yl]amino}benzoic acid ...)
Show SMILES CCCCCCOc1nccc(Nc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C17H21N3O3/c1-2-3-4-7-12-23-17-18-11-10-15(20-17)19-14-9-6-5-8-13(14)16(21)22/h5-6,8-11H,2-4,7,12H2,1H3,(H,21,22)(H,18,19,20)
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n/an/a>1.00E+5n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15990
PNG
(2-{[2-(diethylamino)pyrimidin-4-yl]amino}benzoic a...)
Show SMILES CCN(CC)c1nccc(Nc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C15H18N4O2/c1-3-19(4-2)15-16-10-9-13(18-15)17-12-8-6-5-7-11(12)14(20)21/h5-10H,3-4H2,1-2H3,(H,20,21)(H,16,17,18)
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n/an/a>1.00E+5n/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 17: 668-72 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.093
BindingDB Entry DOI: 10.7270/Q2J964N4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%