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Compile Data Set for Download or QSAR

Found 34 hits of Enz. Inhib. data with enzyme = 'c-Jun N-terminal kinase, JNK' and Substrate = 'Biotin-GST-c-JUN'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM27783
PNG
(2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piper...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 13n/an/an/an/a7.422



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27812
PNG
(2-{[2-({1-[2-(dimethylamino)ethyl]-5-methoxy-2,3-d...)
Show SMILES COc1cc2CCN(CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H29FN8O2/c1-34(2)11-12-35-10-8-15-13-21(37-3)19(14-20(15)35)31-26-32-24-16(7-9-29-24)25(33-26)30-18-6-4-5-17(27)22(18)23(28)36/h4-7,9,13-14H,8,10-12H2,1-3H3,(H2,28,36)(H3,29,30,31,32,33)
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n/an/a 100n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27806
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[2-(morpholin-4-yl)ac...)
Show SMILES COc1cc2CCN(C(=O)CN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C28H29FN8O4/c1-40-22-13-16-6-8-37(23(38)15-36-9-11-41-12-10-36)21(16)14-20(22)33-28-34-26-17(5-7-31-26)27(35-28)32-19-4-2-3-18(29)24(19)25(30)39/h2-5,7,13-14H,6,8-12,15H2,1H3,(H2,30,39)(H3,31,32,33,34,35)
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n/an/a 126n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27796
PNG
(2-({2-[(1-acetyl-5-methoxy-2,3-dihydro-1H-indol-6-...)
Show SMILES COc1cc2CCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H22FN7O3/c1-12(33)32-9-7-13-10-19(35-2)17(11-18(13)32)29-24-30-22-14(6-8-27-22)23(31-24)28-16-5-3-4-15(25)20(16)21(26)34/h3-6,8,10-11H,7,9H2,1-2H3,(H2,26,34)(H3,27,28,29,30,31)
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n/an/a 126n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27810
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[3-(morpholin-4-yl)pr...)
Show SMILES COc1cc2CCN(C(=O)CCN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C29H31FN8O4/c1-41-23-15-17-6-10-38(24(39)7-9-37-11-13-42-14-12-37)22(17)16-21(23)34-29-35-27-18(5-8-32-27)28(36-29)33-20-4-2-3-19(30)25(20)26(31)40/h2-5,8,15-16H,6-7,9-14H2,1H3,(H2,31,40)(H3,32,33,34,35,36)
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n/an/a 251n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27789
PNG
(2-{[2-({5-[3-(dimethylamino)propyl]-2-methoxy-4-me...)
Show SMILES COc1cc(C)c(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H30FN7O2/c1-15-13-21(36-4)20(14-16(15)7-6-12-34(2)3)31-26-32-24-17(10-11-29-24)25(33-26)30-19-9-5-8-18(27)22(19)23(28)35/h5,8-11,13-14H,6-7,12H2,1-4H3,(H2,28,35)(H3,29,30,31,32,33)
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n/an/a 501n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27805
PNG
(2-fluoro-6-{[2-({1-[2-(1H-imidazol-1-yl)acetyl]-5-...)
Show SMILES COc1cc2CCN(C(=O)Cn3ccnc3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H24FN9O3/c1-40-21-11-15-6-9-37(22(38)13-36-10-8-30-14-36)20(15)12-19(21)33-27-34-25-16(5-7-31-25)26(35-27)32-18-4-2-3-17(28)23(18)24(29)39/h2-5,7-8,10-12,14H,6,9,13H2,1H3,(H2,29,39)(H3,31,32,33,34,35)
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n/an/a 631n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27786
PNG
(2-{[2-({5-[3-(dimethylamino)propoxy]-2-methoxyphen...)
Show SMILES COc1ccc(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H28FN7O3/c1-33(2)12-5-13-36-15-8-9-20(35-3)19(14-15)30-25-31-23-16(10-11-28-23)24(32-25)29-18-7-4-6-17(26)21(18)22(27)34/h4,6-11,14H,5,12-13H2,1-3H3,(H2,27,34)(H3,28,29,30,31,32)
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n/an/a 631n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27809
PNG
(2-{[2-({1-[3-(dimethylamino)propanoyl]-5-methoxy-2...)
Show SMILES COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29FN8O3/c1-35(2)11-9-22(37)36-12-8-15-13-21(39-3)19(14-20(15)36)32-27-33-25-16(7-10-30-25)26(34-27)31-18-6-4-5-17(28)23(18)24(29)38/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 794n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27801
PNG
(2-fluoro-6-({2-[(5-methoxy-1-{2-[methoxy(methyl)am...)
Show SMILES CON(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C26H27FN8O4/c1-34(39-3)13-21(36)35-10-8-14-11-20(38-2)18(12-19(14)35)31-26-32-24-15(7-9-29-24)25(33-26)30-17-6-4-5-16(27)22(17)23(28)37/h4-7,9,11-12H,8,10,13H2,1-3H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 794n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27802
PNG
(2-{[2-({1-[2-(diethylamino)acetyl]-5-methoxy-2,3-d...)
Show SMILES CCN(CC)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C28H31FN8O3/c1-4-36(5-2)15-23(38)37-12-10-16-13-22(40-3)20(14-21(16)37)33-28-34-26-17(9-11-31-26)27(35-28)32-19-8-6-7-18(29)24(19)25(30)39/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,30,39)(H3,31,32,33,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27797
PNG
(2-[(2-{[1-(2-aminoacetyl)-5-methoxy-2,3-dihydro-1H...)
Show SMILES COc1cc2CCN(C(=O)CN)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H23FN8O3/c1-36-18-9-12-6-8-33(19(34)11-26)17(12)10-16(18)30-24-31-22-13(5-7-28-22)23(32-24)29-15-4-2-3-14(25)20(15)21(27)35/h2-5,7,9-10H,6,8,11,26H2,1H3,(H2,27,35)(H3,28,29,30,31,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27790
PNG
(2-fluoro-6-{[2-({2-methoxy-5-[(1-propylpiperidin-4...)
Show SMILES CCCN1CCC(CC1)Oc1ccc(OC)c(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c1
Show InChI InChI=1S/C28H32FN7O3/c1-3-13-36-14-10-17(11-15-36)39-18-7-8-23(38-2)22(16-18)33-28-34-26-19(9-12-31-26)27(35-28)32-21-6-4-5-20(29)24(21)25(30)37/h4-9,12,16-17H,3,10-11,13-15H2,1-2H3,(H2,30,37)(H3,31,32,33,34,35)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27787
PNG
(2-{[2-({4-chloro-5-[3-(dimethylamino)propoxy]-2-me...)
Show SMILES COc1cc(Cl)c(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H27ClFN7O3/c1-34(2)10-5-11-37-19-13-18(20(36-3)12-15(19)26)31-25-32-23-14(8-9-29-23)24(33-25)30-17-7-4-6-16(27)21(17)22(28)35/h4,6-9,12-13H,5,10-11H2,1-3H3,(H2,28,35)(H3,29,30,31,32,33)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27803
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[2-(pyrrolidin-1-yl)a...)
Show SMILES COc1cc2CCN(C(=O)CN3CCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C28H29FN8O3/c1-40-22-13-16-8-12-37(23(38)15-36-10-2-3-11-36)21(16)14-20(22)33-28-34-26-17(7-9-31-26)27(35-28)32-19-6-4-5-18(29)24(19)25(30)39/h4-7,9,13-14H,2-3,8,10-12,15H2,1H3,(H2,30,39)(H3,31,32,33,34,35)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27808
PNG
(2-fluoro-6-({2-[(5-methoxy-1-{2-[4-(propan-2-yl)pi...)
Show SMILES COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C31H36FN9O3/c1-18(2)40-13-11-39(12-14-40)17-26(42)41-10-8-19-15-25(44-3)23(16-24(19)41)36-31-37-29-20(7-9-34-29)30(38-31)35-22-6-4-5-21(32)27(22)28(33)43/h4-7,9,15-16,18H,8,10-14,17H2,1-3H3,(H2,33,43)(H3,34,35,36,37,38)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27811
PNG
(2-fluoro-6-({2-[(5-methoxy-1-{3-[4-(propan-2-yl)pi...)
Show SMILES COc1cc2CCN(C(=O)CCN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C32H38FN9O3/c1-19(2)41-15-13-40(14-16-41)11-9-27(43)42-12-8-20-17-26(45-3)24(18-25(20)42)37-32-38-30-21(7-10-35-30)31(39-32)36-23-6-4-5-22(33)28(23)29(34)44/h4-7,10,17-19H,8-9,11-16H2,1-3H3,(H2,34,44)(H3,35,36,37,38,39)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27799
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H27FN8O3/c1-34(2)13-21(36)35-10-8-14-11-20(38-3)18(12-19(14)35)31-26-32-24-15(7-9-29-24)25(33-26)30-17-6-4-5-16(27)22(17)23(28)37/h4-7,9,11-12H,8,10,13H2,1-3H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27793
PNG
(2-{[2-({5-[2-(dimethylamino)acetamido]-2-methoxy-4...)
Show SMILES COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H27FN8O3/c1-13-10-19(37-4)18(11-17(13)29-20(35)12-34(2)3)31-25-32-23-14(8-9-28-23)24(33-25)30-16-7-5-6-15(26)21(16)22(27)36/h5-11H,12H2,1-4H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27804
PNG
(2-{[2-({1-[2-(azetidin-1-yl)acetyl]-5-methoxy-2,3-...)
Show SMILES COc1cc2CCN(C(=O)CN3CCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H27FN8O3/c1-39-21-12-15-7-11-36(22(37)14-35-9-3-10-35)20(15)13-19(21)32-27-33-25-16(6-8-30-25)26(34-27)31-18-5-2-4-17(28)23(18)24(29)38/h2,4-6,8,12-13H,3,7,9-11,14H2,1H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27798
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[2-(methylamino)acety...)
Show SMILES CNCC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C25H25FN8O3/c1-28-12-20(35)34-9-7-13-10-19(37-2)17(11-18(13)34)31-25-32-23-14(6-8-29-23)24(33-25)30-16-5-3-4-15(26)21(16)22(27)36/h3-6,8,10-11,28H,7,9,12H2,1-2H3,(H2,27,36)(H3,29,30,31,32,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27815
PNG
(2-fluoro-6-{[2-({6-methoxy-1-[2-(piperidin-1-yl)ac...)
Show SMILES COc1cc2CCCN(C(=O)CN3CCCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C30H33FN8O3/c1-42-24-15-18-7-6-14-39(25(40)17-38-12-3-2-4-13-38)23(18)16-22(24)35-30-36-28-19(10-11-33-28)29(37-30)34-21-9-5-8-20(31)26(21)27(32)41/h5,8-11,15-16H,2-4,6-7,12-14,17H2,1H3,(H2,32,41)(H3,33,34,35,36,37)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27800
PNG
(2-({2-[(1-{2-[ethyl(methyl)amino]acetyl}-5-methoxy...)
Show SMILES CCN(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C27H29FN8O3/c1-4-35(2)14-22(37)36-11-9-15-12-21(39-3)19(13-20(15)36)32-27-33-25-16(8-10-30-25)26(34-27)31-18-7-5-6-17(28)23(18)24(29)38/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27792
PNG
(2-{[2-({5-[2-(dimethylamino)acetamido]-2-methoxyph...)
Show SMILES COc1ccc(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H25FN8O3/c1-33(2)12-19(34)28-13-7-8-18(36-3)17(11-13)30-24-31-22-14(9-10-27-22)23(32-24)29-16-6-4-5-15(25)20(16)21(26)35/h4-11H,12H2,1-3H3,(H2,26,35)(H,28,34)(H3,27,29,30,31,32)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27784
PNG
(2-fluoro-6-{[2-({2-methoxy-5-[4-(propan-2-yl)piper...)
Show SMILES COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-22(38-3)21(15-17)32-27-33-25-18(9-10-30-25)26(34-27)31-20-6-4-5-19(28)23(20)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 3.16E+3n/an/an/an/a7.422



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27785
PNG
(2-fluoro-6-{[2-({2-methoxy-4-methyl-5-[4-(propan-2...)
Show SMILES COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C28H33FN8O2/c1-16(2)36-10-12-37(13-11-36)22-15-21(23(39-4)14-17(22)3)33-28-34-26-18(8-9-31-26)27(35-28)32-20-7-5-6-19(29)24(20)25(30)38/h5-9,14-16H,10-13H2,1-4H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 3.89E+3n/an/an/an/a7.422



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27791
PNG
(2-{[2-({4-chloro-2-methoxy-5-[(1-propylpiperidin-4...)
Show SMILES CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c(OC)cc1Cl
Show InChI InChI=1S/C28H31ClFN7O3/c1-3-11-37-12-8-16(9-13-37)40-22-15-21(23(39-2)14-18(22)29)34-28-35-26-17(7-10-32-26)27(36-28)33-20-6-4-5-19(30)24(20)25(31)38/h4-7,10,14-16H,3,8-9,11-13H2,1-2H3,(H2,31,38)(H3,32,33,34,35,36)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27817
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)
Show SMILES CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Show InChI InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)
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n/an/a 5.01E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27788
PNG
(2-{[2-({5-[3-(dimethylamino)propyl]-2-methoxypheny...)
Show SMILES COc1ccc(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H28FN7O2/c1-33(2)13-5-6-15-9-10-20(35-3)19(14-15)30-25-31-23-16(11-12-28-23)24(32-25)29-18-8-4-7-17(26)21(18)22(27)34/h4,7-12,14H,5-6,13H2,1-3H3,(H2,27,34)(H3,28,29,30,31,32)
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n/an/a 5.01E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27814
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-6-methoxy-1,2,...)
Show SMILES COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29FN8O3/c1-35(2)14-22(37)36-11-5-6-15-12-21(39-3)19(13-20(15)36)32-27-33-25-16(9-10-30-25)26(34-27)31-18-8-4-7-17(28)23(18)24(29)38/h4,7-10,12-13H,5-6,11,14H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 6.31E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27816
PNG
(2-{[2-({1-[3-(dimethylamino)propanoyl]-6-methoxy-1...)
Show SMILES COc1cc2CCCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C28H31FN8O3/c1-36(2)13-10-23(38)37-12-5-6-16-14-22(40-3)20(15-21(16)37)33-28-34-26-17(9-11-31-26)27(35-28)32-19-8-4-7-18(29)24(19)25(30)39/h4,7-9,11,14-15H,5-6,10,12-13H2,1-3H3,(H2,30,39)(H3,31,32,33,34,35)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27813
PNG
(2-({2-[(1-acetyl-6-methoxy-1,2,3,4-tetrahydroquino...)
Show SMILES COc1cc2CCCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H24FN7O3/c1-13(34)33-10-4-5-14-11-20(36-2)18(12-19(14)33)30-25-31-23-15(8-9-28-23)24(32-25)29-17-7-3-6-16(26)21(17)22(27)35/h3,6-9,11-12H,4-5,10H2,1-2H3,(H2,27,35)(H3,28,29,30,31,32)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27795
PNG
(2-{[2-({5-[2-(dimethylamino)-N-methylacetamido]-2-...)
Show SMILES COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C
Show InChI InChI=1S/C26H29FN8O3/c1-14-11-20(38-5)18(12-19(14)35(4)21(36)13-34(2)3)31-26-32-24-15(9-10-29-24)25(33-26)30-17-8-6-7-16(27)22(17)23(28)37/h6-12H,13H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)
PDB
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM27794
PNG
(2-{[2-({5-[2-(dimethylamino)-N-methylacetamido]-2-...)
Show SMILES COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C
Show InChI InChI=1S/C25H27FN8O3/c1-33(2)13-20(35)34(3)14-8-9-19(37-4)18(12-14)30-25-31-23-15(10-11-28-23)24(32-25)29-17-7-5-6-16(26)21(17)22(27)36/h5-12H,13H2,1-4H3,(H2,27,36)(H3,28,29,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair