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Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'albers' and Initial = 'r'   
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))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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44n/an/an/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK3 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50364377
PNG
(CHEMBL1950304)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C23H26F3N7O2/c1-27-21(34)12-2-4-14(5-3-12)29-22-28-10-18-20(32-22)33(15-6-7-35-11-15)23(30-18)31-19-16(25)8-13(24)9-17(19)26/h8-10,12,14-15H,2-7,11H2,1H3,(H,27,34)(H,30,31)(H,28,29,32)/t12-,14-,15-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK3 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363465
PNG
(CHEMBL1946646)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27F2N7/c23-16-6-3-7-17(24)19(16)29-22-28-18-12-26-21(27-14-10-8-13(25)9-11-14)30-20(18)31(22)15-4-1-2-5-15/h3,6-7,12-15H,1-2,4-5,8-11,25H2,(H,28,29)(H,26,27,30)/t13-,14-
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n/an/a 9n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50364377
PNG
(CHEMBL1950304)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C23H26F3N7O2/c1-27-21(34)12-2-4-14(5-3-12)29-22-28-10-18-20(32-22)33(15-6-7-35-11-15)23(30-18)31-19-16(25)8-13(24)9-17(19)26/h8-10,12,14-15H,2-7,11H2,1H3,(H,27,34)(H,30,31)(H,28,29,32)/t12-,14-,15-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363455
PNG
(CHEMBL1946333)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)/t14-,16-
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n/an/a 10n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363466
PNG
(CHEMBL1946647)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H26F3N7/c23-12-9-16(24)19(17(25)10-12)30-22-29-18-11-27-21(28-14-7-5-13(26)6-8-14)31-20(18)32(22)15-3-1-2-4-15/h9-11,13-15H,1-8,26H2,(H,29,30)(H,27,28,31)/t13-,14-
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n/an/a 11n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363455
PNG
(CHEMBL1946333)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)/t14-,16-
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n/an/a 12n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363465
PNG
(CHEMBL1946646)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27F2N7/c23-16-6-3-7-17(24)19(16)29-22-28-18-12-26-21(27-14-10-8-13(25)9-11-14)30-20(18)31(22)15-4-1-2-5-15/h3,6-7,12-15H,1-2,4-5,8-11,25H2,(H,28,29)(H,26,27,30)/t13-,14-
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n/an/a 13n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363462
PNG
(CHEMBL1946340)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1
Show InChI InChI=1S/C24H25FN6O2/c1-33-18-12-6-15(7-13-18)27-23-26-14-21-22(30-23)31(16-8-10-17(32)11-9-16)24(29-21)28-20-5-3-2-4-19(20)25/h2-7,12-14,16-17,32H,8-11H2,1H3,(H,28,29)(H,26,27,30)/t16-,17+
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n/an/a 14n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363466
PNG
(CHEMBL1946647)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H26F3N7/c23-12-9-16(24)19(17(25)10-12)30-22-29-18-11-27-21(28-14-7-5-13(26)6-8-14)31-20(18)32(22)15-3-1-2-4-15/h9-11,13-15H,1-8,26H2,(H,29,30)(H,27,28,31)/t13-,14-
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n/an/a 16n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363462
PNG
(CHEMBL1946340)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1
Show InChI InChI=1S/C24H25FN6O2/c1-33-18-12-6-15(7-13-18)27-23-26-14-21-22(30-23)31(16-8-10-17(32)11-9-16)24(29-21)28-20-5-3-2-4-19(20)25/h2-7,12-14,16-17,32H,8-11H2,1H3,(H,28,29)(H,26,27,30)/t16-,17+
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n/an/a 17n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363464
PNG
(CHEMBL1946495)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@@H](CC4)C(N)=O)c3n2)cc1
Show InChI InChI=1S/C25H26FN7O2/c1-35-18-12-8-16(9-13-18)29-24-28-14-21-23(32-24)33(17-10-6-15(7-11-17)22(27)34)25(31-21)30-20-5-3-2-4-19(20)26/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3,(H2,27,34)(H,30,31)(H,28,29,32)/t15-,17+
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n/an/a 22n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363467
PNG
(CHEMBL1946837)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27F2N7/c23-13-5-10-18(17(24)11-13)28-22-29-19-12-26-21(27-15-8-6-14(25)7-9-15)30-20(19)31(22)16-3-1-2-4-16/h5,10-12,14-16H,1-4,6-9,25H2,(H,28,29)(H,26,27,30)/t14-,15-
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n/an/a 24n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363464
PNG
(CHEMBL1946495)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@@H](CC4)C(N)=O)c3n2)cc1
Show InChI InChI=1S/C25H26FN7O2/c1-35-18-12-8-16(9-13-18)29-24-28-14-21-23(32-24)33(17-10-6-15(7-11-17)22(27)34)25(31-21)30-20-5-3-2-4-19(20)26/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3,(H2,27,34)(H,30,31)(H,28,29,32)/t15-,17+
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n/an/a 24n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363467
PNG
(CHEMBL1946837)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27F2N7/c23-13-5-10-18(17(24)11-13)28-22-29-19-12-26-21(27-15-8-6-14(25)7-9-15)30-20(19)31(22)16-3-1-2-4-16/h5,10-12,14-16H,1-4,6-9,25H2,(H,28,29)(H,26,27,30)/t14-,15-
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n/an/a 25n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363456
PNG
(CHEMBL1946334)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H28FN7/c23-17-7-3-4-8-18(17)27-22-28-19-13-25-21(26-15-11-9-14(24)10-12-15)29-20(19)30(22)16-5-1-2-6-16/h3-4,7-8,13-16H,1-2,5-6,9-12,24H2,(H,27,28)(H,25,26,29)/t14-,15-
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n/an/a 26n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363456
PNG
(CHEMBL1946334)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H28FN7/c23-17-7-3-4-8-18(17)27-22-28-19-13-25-21(26-15-11-9-14(24)10-12-15)29-20(19)30(22)16-5-1-2-6-16/h3-4,7-8,13-16H,1-2,5-6,9-12,24H2,(H,27,28)(H,25,26,29)/t14-,15-
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n/an/a 31n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50364376
PNG
(CHEMBL1950303)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK3 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50364376
PNG
(CHEMBL1950303)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363454
PNG
(CHEMBL1946332)
Show SMILES Fc1ccccc1Nc1nc2cnc(NC3CCCCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H27FN6/c23-17-12-6-7-13-18(17)26-22-27-19-14-24-21(25-15-8-2-1-3-9-15)28-20(19)29(22)16-10-4-5-11-16/h6-7,12-16H,1-5,8-11H2,(H,26,27)(H,24,25,28)
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n/an/a 46n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363450
PNG
(CHEMBL1946328)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H22F2N6O/c1-32-16-11-9-14(10-12-16)27-22-26-13-19-21(30-22)31(15-5-2-3-6-15)23(28-19)29-20-17(24)7-4-8-18(20)25/h4,7-13,15H,2-3,5-6H2,1H3,(H,28,29)(H,26,27,30)
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n/an/a 46n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363454
PNG
(CHEMBL1946332)
Show SMILES Fc1ccccc1Nc1nc2cnc(NC3CCCCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H27FN6/c23-17-12-6-7-13-18(17)26-22-27-19-14-24-21(25-15-8-2-1-3-9-15)28-20(19)29(22)16-10-4-5-11-16/h6-7,12-16H,1-5,8-11H2,(H,26,27)(H,24,25,28)
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n/an/a 50n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364377
PNG
(CHEMBL1950304)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C23H26F3N7O2/c1-27-21(34)12-2-4-14(5-3-12)29-22-28-10-18-20(32-22)33(15-6-7-35-11-15)23(30-18)31-19-16(25)8-13(24)9-17(19)26/h8-10,12,14-15H,2-7,11H2,1H3,(H,27,34)(H,30,31)(H,28,29,32)/t12-,14-,15-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363463
PNG
(CHEMBL1946341)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCOCC4)c3n2)cc1
Show InChI InChI=1S/C23H23FN6O2/c1-31-17-8-6-15(7-9-17)26-22-25-14-20-21(29-22)30(16-10-12-32-13-11-16)23(28-20)27-19-5-3-2-4-18(19)24/h2-9,14,16H,10-13H2,1H3,(H,27,28)(H,25,26,29)
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n/an/a 52n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364382
PNG
(CHEMBL1950293)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1
Show InChI InChI=1S/C25H30F3N7O2/c1-14(2)30-24-29-13-20-22(33-24)35(25(31-20)32-21-18(27)11-16(26)12-19(21)28)17-5-3-15(4-6-17)23(36)34-7-9-37-10-8-34/h11-15,17H,3-10H2,1-2H3,(H,31,32)(H,29,30,33)/t15-,17+
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n/an/a 63n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363463
PNG
(CHEMBL1946341)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCOCC4)c3n2)cc1
Show InChI InChI=1S/C23H23FN6O2/c1-31-17-8-6-15(7-9-17)26-22-25-14-20-21(29-22)30(16-10-12-32-13-11-16)23(28-20)27-19-5-3-2-4-18(19)24/h2-9,14,16H,10-13H2,1H3,(H,27,28)(H,25,26,29)
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n/an/a 63n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363453
PNG
(CHEMBL1946331)
Show SMILES CC(C)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C19H23FN6/c1-12(2)22-18-21-11-16-17(25-18)26(13-7-3-4-8-13)19(24-16)23-15-10-6-5-9-14(15)20/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,23,24)(H,21,22,25)
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n/an/a 66n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50363455
PNG
(CHEMBL1946333)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)/t14-,16-
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n/an/a 75n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK1 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364381
PNG
(CHEMBL1950292)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)NC3CC3)c2n1
Show InChI InChI=1S/C24H28F3N7O/c1-12(2)29-23-28-11-19-21(33-23)34(16-7-3-13(4-8-16)22(35)30-15-5-6-15)24(31-19)32-20-17(26)9-14(25)10-18(20)27/h9-13,15-16H,3-8H2,1-2H3,(H,30,35)(H,31,32)(H,28,29,33)/t13-,16+
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n/an/a 79n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363458
PNG
(CHEMBL1946336)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1
Show InChI InChI=1S/C21H21FN6O/c1-13(2)28-19-18(26-21(28)25-17-7-5-4-6-16(17)22)12-23-20(27-19)24-14-8-10-15(29-3)11-9-14/h4-13H,1-3H3,(H,25,26)(H,23,24,27)
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n/an/a 83n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50363465
PNG
(CHEMBL1946646)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H27F2N7/c23-16-6-3-7-17(24)19(16)29-22-28-18-12-26-21(27-14-10-8-13(25)9-11-14)30-20(18)31(22)15-4-1-2-5-15/h3,6-7,12-15H,1-2,4-5,8-11,25H2,(H,28,29)(H,26,27,30)/t13-,14-
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n/an/a 91n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK1 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363458
PNG
(CHEMBL1946336)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1
Show InChI InChI=1S/C21H21FN6O/c1-13(2)28-19-18(26-21(28)25-17-7-5-4-6-16(17)22)12-23-20(27-19)24-14-8-10-15(29-3)11-9-14/h4-13H,1-3H3,(H,25,26)(H,23,24,27)
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n/an/a 96n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363453
PNG
(CHEMBL1946331)
Show SMILES CC(C)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C19H23FN6/c1-12(2)22-18-21-11-16-17(25-18)26(13-7-3-4-8-13)19(24-16)23-15-10-6-5-9-14(15)20/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,23,24)(H,21,22,25)
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n/an/a 110n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363447
PNG
(CHEMBL1946325)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H23FN6O/c1-31-17-12-10-15(11-13-17)26-22-25-14-20-21(29-22)30(16-6-2-3-7-16)23(28-20)27-19-9-5-4-8-18(19)24/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,27,28)(H,25,26,29)
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n/an/a 120n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364383
PNG
(CHEMBL1950294)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H26F2N6O/c23-13-5-10-18(17(24)11-13)27-22-28-19-12-25-21(26-14-6-8-16(31)9-7-14)29-20(19)30(22)15-3-1-2-4-15/h5,10-12,14-16,31H,1-4,6-9H2,(H,27,28)(H,25,26,29)/t14-,16-
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n/an/a 120n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364380
PNG
(CHEMBL1950291)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(N)=O)c2n1
Show InChI InChI=1S/C21H24F3N7O/c1-10(2)27-20-26-9-16-19(30-20)31(13-5-3-11(4-6-13)18(25)32)21(28-16)29-17-14(23)7-12(22)8-15(17)24/h7-11,13H,3-6H2,1-2H3,(H2,25,32)(H,28,29)(H,26,27,30)/t11-,13+
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n/an/a 120n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363450
PNG
(CHEMBL1946328)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H22F2N6O/c1-32-16-11-9-14(10-12-16)27-22-26-13-19-21(30-22)31(15-5-2-3-6-15)23(28-19)29-20-17(24)7-4-8-18(20)25/h4,7-13,15H,2-3,5-6H2,1H3,(H,28,29)(H,26,27,30)
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n/an/a 130n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363449
PNG
(CHEMBL1946327)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccc(F)cc4F)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H22F2N6O/c1-32-17-9-7-15(8-10-17)27-22-26-13-20-21(30-22)31(16-4-2-3-5-16)23(29-20)28-19-11-6-14(24)12-18(19)25/h6-13,16H,2-5H2,1H3,(H,28,29)(H,26,27,30)
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n/an/a 130n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50363449
PNG
(CHEMBL1946327)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccc(F)cc4F)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H22F2N6O/c1-32-17-9-7-15(8-10-17)27-22-26-13-20-21(30-22)31(16-4-2-3-5-16)23(29-20)28-19-11-6-14(24)12-18(19)25/h6-13,16H,2-5H2,1H3,(H,28,29)(H,26,27,30)
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n/an/a 140n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363452
PNG
(CHEMBL1946330)
Show SMILES CCNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H21FN6/c1-2-20-17-21-11-15-16(24-17)25(12-7-3-4-8-12)18(23-15)22-14-10-6-5-9-13(14)19/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,23)(H,20,21,24)
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n/an/a 140n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50363459
PNG
(CHEMBL1946337)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C24H25FN6O/c1-32-18-13-11-16(12-14-18)27-23-26-15-21-22(30-23)31(17-7-3-2-4-8-17)24(29-21)28-20-10-6-5-9-19(20)25/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,28,29)(H,26,27,30)
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n/an/a 140n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50363466
PNG
(CHEMBL1946647)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C22H26F3N7/c23-12-9-16(24)19(17(25)10-12)30-22-29-18-11-27-21(28-14-7-5-13(26)6-8-14)31-20(18)32(22)15-3-1-2-4-15/h9-11,13-15H,1-8,26H2,(H,29,30)(H,27,28,31)/t13-,14-
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n/an/a 150n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK1 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364379
PNG
(CHEMBL1950290)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@@H]3CC[C@H](O)CC3)c2n1
Show InChI InChI=1S/C20H24F2N6O/c1-11(2)24-19-23-10-16-18(27-19)28(12-6-8-13(29)9-7-12)20(25-16)26-17-14(21)4-3-5-15(17)22/h3-5,10-13,29H,6-9H2,1-2H3,(H,25,26)(H,23,24,27)/t12-,13+
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n/an/a 160n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50363462
PNG
(CHEMBL1946340)
Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1
Show InChI InChI=1S/C24H25FN6O2/c1-33-18-12-6-15(7-13-18)27-23-26-14-21-22(30-23)31(16-8-10-17(32)11-9-16)24(29-21)28-20-5-3-2-4-19(20)25/h2-7,12-14,16-17,32H,8-11H2,1H3,(H,28,29)(H,26,27,30)/t16-,17+
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n/an/a 160n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of full length Hexa-His-tagged JNK1 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 1427-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.028
BindingDB Entry DOI: 10.7270/Q2513ZP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50364380
PNG
(CHEMBL1950291)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(N)=O)c2n1
Show InChI InChI=1S/C21H24F3N7O/c1-10(2)27-20-26-9-16-19(30-20)31(13-5-3-11(4-6-13)18(25)32)21(28-16)29-17-14(23)7-12(22)8-15(17)24/h7-11,13H,3-6H2,1-2H3,(H2,25,32)(H,28,29)(H,26,27,30)/t11-,13+
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n/an/a 160n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364370
PNG
(CHEMBL1950297)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
Show InChI InChI=1S/C25H32F2N6O/c1-25(2,34)15-7-10-17(11-8-15)29-23-28-14-21-22(32-23)33(18-5-3-4-6-18)24(31-21)30-20-12-9-16(26)13-19(20)27/h9,12-15,17-18,34H,3-8,10-11H2,1-2H3,(H,30,31)(H,28,29,32)/t15-,17-
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n/an/a 170n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...


Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
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