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PubMed code 16527482

Compile data set for download or QSAR
Found 41 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))
BDBM15906
PNG
(6-chloro-17-methyl-2-oxido-9,15-dioxo-2,14,16,17-t...)
Show SMILES Cn1n2c(CCNC2=O)c2c1[n+]([O-])c1ccc(Cl)cc1c2=O
Show InChI InChI=1S/C14H11ClN4O3/c1-17-13-11(10-4-5-16-14(21)18(10)17)12(20)8-6-7(15)2-3-9(8)19(13)22/h2-3,6H,4-5H2,1H3,(H,16,21)
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n/an/a 290n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15899
PNG
(9-hydroxy pyrazoloquinolinone 7o | ethyl N-(2-{6-c...)
Show SMILES CCOC(=O)NCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C16H17ClN4O4/c1-3-25-16(23)18-7-6-11-13-14(22)10-8-9(17)4-5-12(10)21(24)15(13)20(2)19-11/h4-5,8,24H,3,6-7H2,1-2H3,(H,18,23)
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n/an/a 430n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15898
PNG
(1-(3-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-p...)
Show SMILES CCNC(=O)NCCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C17H20ClN5O3/c1-3-19-17(25)20-8-4-5-12-14-15(24)11-9-10(18)6-7-13(11)23(26)16(14)22(2)21-12/h6-7,9,26H,3-5,8H2,1-2H3,(H2,19,20,25)
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n/an/a 500n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15887
PNG
(3-butyl-6-chloro-9-hydroxy-1-methyl-1H,4H,9H-pyraz...)
Show SMILES CCCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C15H16ClN3O2/c1-3-4-5-11-13-14(20)10-8-9(16)6-7-12(10)19(21)15(13)18(2)17-11/h6-8,21H,3-5H2,1-2H3
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n/an/a 520n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15896
PNG
(4-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-pyra...)
Show SMILES CNC(=O)CCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C16H17ClN4O3/c1-18-13(22)5-3-4-11-14-15(23)10-8-9(17)6-7-12(10)21(24)16(14)20(2)19-11/h6-8,24H,3-5H2,1-2H3,(H,18,22)
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n/an/a 750n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15897
PNG
(9-hydroxy pyrazoloquinolinone 7m | N-(2-{6-chloro-...)
Show SMILES CC(=O)NCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C15H15ClN4O3/c1-8(21)17-6-5-11-13-14(22)10-7-9(16)3-4-12(10)20(23)15(13)19(2)18-11/h3-4,7,23H,5-6H2,1-2H3,(H,17,21)
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n/an/a 780n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15870
PNG
(6-bromo-9-hydroxy-1,3-dimethyl-1H,4H,9H-pyrazolo[3...)
Show SMILES Cc1nn(C)c2n(O)c3ccc(Br)cc3c(=O)c12
Show InChI InChI=1S/C12H10BrN3O2/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 920n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15885
PNG
(6-chloro-3-ethyl-9-hydroxy-1-methyl-1H,4H,9H-pyraz...)
Show SMILES CCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C13H12ClN3O2/c1-3-9-11-12(18)8-6-7(14)4-5-10(8)17(19)13(11)16(2)15-9/h4-6,19H,3H2,1-2H3
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n/an/a 960n/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 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
c-Jun N-terminal kinase, JNK


(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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n/an/a 980n/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
c-Jun N-terminal kinase, JNK


(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 1.22E+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
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15886
PNG
(6-chloro-9-hydroxy-1-methyl-3-propyl-1H,4H,9H-pyra...)
Show SMILES CCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C14H14ClN3O2/c1-3-4-10-12-13(19)9-7-8(15)5-6-11(9)18(20)14(12)17(2)16-10/h5-7,20H,3-4H2,1-2H3
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n/an/a 1.31E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15905
PNG
(6-chloro-9-hydroxy-3-methyl-1-phenyl-1H,4H,9H-pyra...)
Show SMILES Cc1nn(-c2ccccc2)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C17H12ClN3O2/c1-10-15-16(22)13-9-11(18)7-8-14(13)21(23)17(15)20(19-10)12-5-3-2-4-6-12/h2-9,23H,1H3
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n/an/a 1.75E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15892
PNG
(6-chloro-9-hydroxy-3-(2-methoxyethyl)-1-methyl-1H,...)
Show SMILES COCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C14H14ClN3O3/c1-17-14-12(10(16-17)5-6-21-2)13(19)9-7-8(15)3-4-11(9)18(14)20/h3-4,7,20H,5-6H2,1-2H3
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n/an/a 2.41E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15888
PNG
(6-chloro-9-hydroxy-1-methyl-3-(propan-2-yl)-1H,4H,...)
Show SMILES CC(C)c1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C14H14ClN3O2/c1-7(2)12-11-13(19)9-6-8(15)4-5-10(9)18(20)14(11)17(3)16-12/h4-7,20H,1-3H3
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n/an/a 2.64E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15894
PNG
(4-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-pyra...)
Show SMILES Cn1nc(CCCC(O)=O)c2c1n(O)c1ccc(Cl)cc1c2=O
Show InChI InChI=1S/C15H14ClN3O4/c1-18-15-13(10(17-18)3-2-4-12(20)21)14(22)9-7-8(16)5-6-11(9)19(15)23/h5-7,23H,2-4H2,1H3,(H,20,21)
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n/an/a 2.74E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15879
PNG
(6-chloro-9-ethoxy-1,3-dimethyl-1H,4H,9H-pyrazolo[3...)
Show SMILES CCOn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C14H14ClN3O2/c1-4-20-18-11-6-5-9(15)7-10(11)13(19)12-8(2)16-17(3)14(12)18/h5-7H,4H2,1-3H3
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n/an/a 2.78E+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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15895
PNG
(3-(2-aminoethyl)-6-chloro-9-hydroxy-1-methyl-1H,4H...)
Show SMILES Cn1nc(CCN)c2c1n(O)c1ccc(Cl)cc1c2=O
Show InChI InChI=1S/C13H13ClN4O2/c1-17-13-11(9(16-17)4-5-15)12(19)8-6-7(14)2-3-10(8)18(13)20/h2-3,6,20H,4-5,15H2,1H3
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n/an/a 2.83E+3n/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 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))
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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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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15904
PNG
(6-chloro-1-ethyl-9-hydroxy-3-methyl-1H,4H,9H-pyraz...)
Show SMILES CCn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O
Show InChI InChI=1S/C13H12ClN3O2/c1-3-16-13-11(7(2)15-16)12(18)9-6-8(14)4-5-10(9)17(13)19/h4-6,19H,3H2,1-2H3
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n/an/a 4.19E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15900
PNG
(2-{6-chloro-9-hydroxy-3-methyl-4-oxo-1H,4H,9H-pyra...)
Show SMILES Cc1nn(CC(O)=O)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C13H10ClN3O4/c1-6-11-12(20)8-4-7(14)2-3-9(8)17(21)13(11)16(15-6)5-10(18)19/h2-4,21H,5H2,1H3,(H,18,19)
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n/an/a 4.41E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15878
PNG
(6-chloro-9-methoxy-1,3-dimethyl-1H,4H,9H-pyrazolo[...)
Show SMILES COn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C13H12ClN3O2/c1-7-11-12(18)9-6-8(14)4-5-10(9)17(19-3)13(11)16(2)15-7/h4-6H,1-3H3
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n/an/a 4.59E+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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15872
PNG
(6,7-dichloro-9-hydroxy-1-methyl-3-(trifluoromethyl...)
Show SMILES Cn1nc(c2c1n(O)c1cc(Cl)c(Cl)cc1c2=O)C(F)(F)F
Show InChI InChI=1S/C12H6Cl2F3N3O2/c1-19-11-8(10(18-19)12(15,16)17)9(21)4-2-5(13)6(14)3-7(4)20(11)22/h2-3,22H,1H3
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n/an/a 5.14E+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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15880
PNG
(6-chloro-1,3-dimethyl-9-propoxy-1H,4H,9H-pyrazolo[...)
Show SMILES CCCOn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C15H16ClN3O2/c1-4-7-21-19-12-6-5-10(16)8-11(12)14(20)13-9(2)17-18(3)15(13)19/h5-6,8H,4,7H2,1-3H3
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n/an/a 5.43E+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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15901
PNG
(9-hydroxy pyrazoloquinolinone 7q | ethyl 2-{6-chlo...)
Show SMILES CCOC(=O)Cn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O
Show InChI InChI=1S/C15H14ClN3O4/c1-3-23-12(20)7-18-15-13(8(2)17-18)14(21)10-6-9(16)4-5-11(10)19(15)22/h4-6,22H,3,7H2,1-2H3
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n/an/a 7.64E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15903
PNG
(6-chloro-9-hydroxy-1-(2-hydroxyethyl)-3-methyl-1H,...)
Show SMILES Cc1nn(CCO)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C13H12ClN3O3/c1-7-11-12(19)9-6-8(14)2-3-10(9)17(20)13(11)16(15-7)4-5-18/h2-3,6,18,20H,4-5H2,1H3
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n/an/a 7.67E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15902
PNG
(2-{6-chloro-9-hydroxy-3-methyl-4-oxo-1H,4H,9H-pyra...)
Show SMILES CNC(=O)Cn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O
Show InChI InChI=1S/C14H13ClN4O3/c1-7-12-13(21)9-5-8(15)3-4-10(9)19(22)14(12)18(17-7)6-11(20)16-2/h3-5,22H,6H2,1-2H3,(H,16,20)
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n/an/a 8.77E+3n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15883
PNG
(9-(alk)oxy pyrazoloquinolinone 14f | 9-(benzyloxy)...)
Show SMILES Cc1nn(C)c2n(OCc3ccccc3)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C19H16ClN3O2/c1-12-17-18(24)15-10-14(20)8-9-16(15)23(19(17)22(2)21-12)25-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
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n/an/a>1.00E+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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15876
PNG
(9-hydroxy pyrazoloquinolinone 12b | 9-hydroxy-1,3-...)
Show SMILES Cc1nn(C)c2n(O)c3ccc(cc3c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C18H15N3O2/c1-11-16-17(22)14-10-13(12-6-4-3-5-7-12)8-9-15(14)21(23)18(16)20(2)19-11/h3-10,23H,1-2H3
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n/an/a>1.00E+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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15890
PNG
(9-hydroxy pyrazoloquinolinone 7f | methyl 6-chloro...)
Show SMILES COC(=O)c1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C13H10ClN3O4/c1-16-12-9(10(15-16)13(19)21-2)11(18)7-5-6(14)3-4-8(7)17(12)20/h3-5,20H,1-2H3
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n/an/a>1.00E+4n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15891
PNG
(3-(4-aminophenyl)-6-chloro-9-hydroxy-1-methyl-1H,4...)
Show SMILES Cn1nc(-c2ccc(N)cc2)c2c1n(O)c1ccc(Cl)cc1c2=O
Show InChI InChI=1S/C17H13ClN4O2/c1-21-17-14(15(20-21)9-2-5-11(19)6-3-9)16(23)12-8-10(18)4-7-13(12)22(17)24/h2-8,24H,19H2,1H3
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n/an/a>1.00E+4n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15889
PNG
(3-tert-butyl-6-chloro-9-hydroxy-1-methyl-1H,4H,9H-...)
Show SMILES Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(C)(C)C
Show InChI InChI=1S/C15H16ClN3O2/c1-15(2,3)13-11-12(20)9-7-8(16)5-6-10(9)19(21)14(11)18(4)17-13/h5-7,21H,1-4H3
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n/an/a>1.00E+4n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15884
PNG
(6-chloro-1,3-dimethyl-1H,4H,9H-pyrazolo[3,4-b]quin...)
Show SMILES Cc1nn(C)c2nc3ccc(Cl)cc3c(O)c12
Show InChI InChI=1S/C12H10ClN3O/c1-6-10-11(17)8-5-7(13)3-4-9(8)14-12(10)16(2)15-6/h3-5H,1-2H3,(H,14,17)
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n/an/a>1.00E+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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15877
PNG
(9-hydroxy pyrazoloquinolinone 12c | 9-hydroxy-1,3-...)
Show SMILES Cc1nn(C)c2n(O)c3ccc(cc3c(=O)c12)-c1cc[nH]n1
Show InChI InChI=1S/C15H13N5O2/c1-8-13-14(21)10-7-9(11-5-6-16-17-11)3-4-12(10)20(22)15(13)19(2)18-8/h3-7,22H,1-2H3,(H,16,17)
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n/an/a>1.00E+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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15875
PNG
(9-hydroxy pyrazoloquinolinone 12a | 9-hydroxy-1,3-...)
Show SMILES Cc1nn(C)c2n(O)c3ccccc3c(=O)c12
Show InChI InChI=1S/C12H11N3O2/c1-7-10-11(16)8-5-3-4-6-9(8)15(17)12(10)14(2)13-7/h3-6,17H,1-2H3
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n/an/a>1.00E+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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15871
PNG
(5,6-dichloro-9-hydroxy-1-methyl-3-(trifluoromethyl...)
Show SMILES Cn1nc(c2c1n(O)c1ccc(Cl)c(Cl)c1c2=O)C(F)(F)F
Show InChI InChI=1S/C12H6Cl2F3N3O2/c1-19-11-7(10(18-19)12(15,16)17)9(21)6-5(20(11)22)3-2-4(13)8(6)14/h2-3,22H,1H3
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n/an/a>1.00E+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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15893
PNG
(3-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-pyra...)
Show SMILES Cn1nc(CCC(O)=O)c2c1n(O)c1ccc(Cl)cc1c2=O
Show InChI InChI=1S/C14H12ClN3O4/c1-17-14-12(9(16-17)3-5-11(19)20)13(21)8-6-7(15)2-4-10(8)18(14)22/h2,4,6,22H,3,5H2,1H3,(H,19,20)
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n/an/a>1.00E+4n/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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15874
PNG
(6-chloro-7-(dimethylamino)-9-hydroxy-1-methyl-3-(t...)
Show SMILES CN(C)c1cc2n(O)c3n(C)nc(c3c(=O)c2cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H12ClF3N4O2/c1-20(2)9-5-8-6(4-7(9)15)11(23)10-12(14(16,17)18)19-21(3)13(10)22(8)24/h4-5,24H,1-3H3
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n/an/a>1.00E+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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15873
PNG
(6-chloro-9-hydroxy-8-methoxy-1-methyl-3-(trifluoro...)
Show SMILES COc1cc(Cl)cc2c1n(O)c1n(C)nc(c1c2=O)C(F)(F)F
Show InChI InChI=1S/C13H9ClF3N3O3/c1-19-12-8(11(18-19)13(15,16)17)10(21)6-3-5(14)4-7(23-2)9(6)20(12)22/h3-4,22H,1-2H3
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n/an/a>1.00E+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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15882
PNG
(6-chloro-9-(cyclopentyloxy)-1,3-dimethyl-1H,4H,9H-...)
Show SMILES Cc1nn(C)c2n(OC3CCCC3)c3ccc(Cl)cc3c(=O)c12
Show InChI InChI=1S/C17H18ClN3O2/c1-10-15-16(22)13-9-11(18)7-8-14(13)21(17(15)20(2)19-10)23-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a>1.00E+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 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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM15881
PNG
(6-chloro-1,3-dimethyl-9-(propan-2-yloxy)-1H,4H,9H-...)
Show SMILES CC(C)On1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C15H16ClN3O2/c1-8(2)21-19-12-6-5-10(16)7-11(12)14(20)13-9(3)17-18(4)15(13)19/h5-8H,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+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 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
* indicates data uncertainty>20%