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Compile Data Set for Download or QSAR

Found 132 hits of ki data for polymerid = 1653,1663   
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))
BDBM15956
PNG
(Aminopyridine-Based Inhibitor 18b | N-(4-Amino-5-c...)
Show SMILES COc1cc(c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1)S(C)(=O)=O
Show InChI InChI=1S/C20H24N4O6S/c1-11(2)30-20-13(10-21)14(22)8-18(24-20)23-19(25)7-12-6-16(29-4)17(31(5,26)27)9-15(12)28-3/h6,8-9,11H,7H2,1-5H3,(H3,22,23,24,25)
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM15908
PNG
(Aminopyridine-Based Inhibitor 6o | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
Show InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
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4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human JNK2


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM15908
PNG
(Aminopyridine-Based Inhibitor 6o | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
Show InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50314147
PNG
(CHEMBL1094014 | trans-4-(4-(1-benzyl-5-(dimethylam...)
Show SMILES CN(C)c1c(cnn1Cc1ccccc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C22H28N6O/c1-27(2)21-19(14-24-28(21)15-16-6-4-3-5-7-16)20-12-13-23-22(26-20)25-17-8-10-18(29)11-9-17/h3-7,12-14,17-18,29H,8-11,15H2,1-2H3,(H,23,25,26)/t17-,18-
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50314147
PNG
(CHEMBL1094014 | trans-4-(4-(1-benzyl-5-(dimethylam...)
Show SMILES CN(C)c1c(cnn1Cc1ccccc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C22H28N6O/c1-27(2)21-19(14-24-28(21)15-16-6-4-3-5-7-16)20-12-13-23-22(26-20)25-17-8-10-18(29)11-9-17/h3-7,12-14,17-18,29H,8-11,15H2,1-2H3,(H,23,25,26)/t17-,18-
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6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
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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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
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM15939
PNG
(Aminopyridine-Based Inhibitor 6s | N-(4-amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1C#N
Show InChI InChI=1S/C19H22N4O6S/c1-5-29-19-12(10-20)13(21)8-17(23-19)22-18(24)7-11-6-15(28-3)16(30(4,25)26)9-14(11)27-2/h6,8-9H,5,7H2,1-4H3,(H3,21,22,23,24)
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM15976
PNG
(Aminopyridine-Based Inhibitor 35 | N-(4-Amino-5-ch...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1Cl
Show InChI InChI=1S/C18H22ClN3O6S/c1-5-28-18-17(19)11(20)8-15(22-18)21-16(23)7-10-6-13(27-3)14(29(4,24)25)9-12(10)26-2/h6,8-9H,5,7H2,1-4H3,(H3,20,21,22,23)
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50314148
PNG
(CHEMBL1089007 | trans-4-(4-(3-(tetrahydro-2H-pyran...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1
Show InChI InChI=1S/C18H25N5O2/c24-14-5-3-13(4-6-14)21-18-19-8-7-16(22-18)15-10-20-23-17(15)12-2-1-9-25-11-12/h7-8,10,12-14,24H,1-6,9,11H2,(H,20,23)(H,19,21,22)/t12?,13-,14-
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50314148
PNG
(CHEMBL1089007 | trans-4-(4-(3-(tetrahydro-2H-pyran...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1
Show InChI InChI=1S/C18H25N5O2/c24-14-5-3-13(4-6-14)21-18-19-8-7-16(22-18)15-10-20-23-17(15)12-2-1-9-25-11-12/h7-8,10,12-14,24H,1-6,9,11H2,(H,20,23)(H,19,21,22)/t12?,13-,14-
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15956
PNG
(Aminopyridine-Based Inhibitor 18b | N-(4-Amino-5-c...)
Show SMILES COc1cc(c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1)S(C)(=O)=O
Show InChI InChI=1S/C20H24N4O6S/c1-11(2)30-20-13(10-21)14(22)8-18(24-20)23-19(25)7-12-6-16(29-4)17(31(5,26)27)9-15(12)28-3/h6,8-9,11H,7H2,1-5H3,(H3,22,23,24,25)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15908
PNG
(Aminopyridine-Based Inhibitor 6o | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
Show InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
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52n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human JNK3


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15908
PNG
(Aminopyridine-Based Inhibitor 6o | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
Show InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
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52n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15976
PNG
(Aminopyridine-Based Inhibitor 35 | N-(4-Amino-5-ch...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1Cl
Show InChI InChI=1S/C18H22ClN3O6S/c1-5-28-18-17(19)11(20)8-15(22-18)21-16(23)7-10-6-13(27-3)14(29(4,24)25)9-12(10)26-2/h6,8-9H,5,7H2,1-4H3,(H3,20,21,22,23)
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61n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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70n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15939
PNG
(Aminopyridine-Based Inhibitor 6s | N-(4-amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1C#N
Show InChI InChI=1S/C19H22N4O6S/c1-5-29-19-12(10-20)13(21)8-17(23-19)22-18(24)7-11-6-15(28-3)16(30(4,25)26)9-14(11)27-2/h6,8-9H,5,7H2,1-4H3,(H3,21,22,23,24)
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72n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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90n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297456
PNG
(6-bromo-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3ccc(Br)cc23)c2OCOCc2c1
Show InChI InChI=1S/C17H12BrFN2O4/c18-11-1-2-13-14(5-11)21(17(22)15(13)20-23)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
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100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303636
PNG
(4-(4-Phenylpyrimidin-2-ylamino)benzamide | CHEMBL5...)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21)
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PubMed
130n/an/an/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297457
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=C)c2OCOCc2c1
Show InChI InChI=1S/C19H15FN2O4/c1-2-11-4-3-5-15-16(11)17(21-24)19(23)22(15)8-12-6-14(20)7-13-9-25-10-26-18(12)13/h2-7,17H,1,8-10H2
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140n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297458
PNG
((Z)-methyl 1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-y...)
Show SMILES COC(=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C19H15FN2O6/c1-26-19(24)10-2-3-14-15(6-10)22(18(23)16(14)21-25)7-11-4-13(20)5-12-8-27-9-28-17(11)12/h2-6,16H,7-9H2,1H3
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160n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297459
PNG
(4-bromo-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3Br)c2OCOCc2c1
Show InChI InChI=1S/C17H12BrFN2O4/c18-12-2-1-3-13-14(12)15(20-23)17(22)21(13)6-9-4-11(19)5-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
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185n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297460
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3ccc(cc23)-c2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C23H17FN2O4/c24-18-8-16(22-17(9-18)12-29-13-30-22)11-26-20-10-15(14-4-2-1-3-5-14)6-7-19(20)21(25-28)23(26)27/h1-10,21H,11-13H2
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200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297462
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES COc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O5/c1-24-13-2-3-14-15(6-13)21(18(22)16(14)20-23)7-10-4-12(19)5-11-8-25-9-26-17(10)11/h2-6,16H,7-9H2,1H3
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240n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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262n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2A2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297463
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES OC(=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H13FN2O6/c19-12-3-10(16-11(4-12)7-26-8-27-16)6-21-14-5-9(18(23)24)1-2-13(14)15(20-25)17(21)22/h1-5,15H,6-8H2,(H,23,24)
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300n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297464
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3ccc(cc23)C(F)(F)F)c2OCOCc2c1
Show InChI InChI=1S/C18H12F4N2O4/c19-12-3-9(16-10(4-12)7-27-8-28-16)6-24-14-5-11(18(20,21)22)1-2-13(14)15(23-26)17(24)25/h1-5,15H,6-8H2
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330n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297465
PNG
(6-amino-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)
Show SMILES Nc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C17H14FN3O4/c18-11-3-9(16-10(4-11)7-24-8-25-16)6-21-14-5-12(19)1-2-13(14)15(20-23)17(21)22/h1-5,15H,6-8,19H2
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400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297466
PNG
((3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl...)
Show SMILES Fc1ccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c2c1
Show InChI InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
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440n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM15907
PNG
(Aminopyridine-Based Inhibitor 6a | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(C)=O)cc(N)c1C#N
Show InChI InChI=1S/C10H12N4O2/c1-3-16-10-7(5-11)8(12)4-9(14-10)13-6(2)15/h4H,3H2,1-2H3,(H3,12,13,14,15)
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440n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297467
PNG
(CHEMBL564616 | N-(1-((6-fluoro-4H-benzo[d][1,3]dio...)
Show SMILES CS(=O)(=O)Nc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H16FN3O6S/c1-29(25,26)21-13-2-3-14-15(6-13)22(18(23)16(14)20-24)7-10-4-12(19)5-11-8-27-9-28-17(10)11/h2-6,16,21H,7-9H2,1H3
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460n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297468
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3ccccc23)c2OCOCc2c1
Show InChI InChI=1S/C17H13FN2O4/c18-12-5-10(16-11(6-12)8-23-9-24-16)7-20-14-4-2-1-3-13(14)15(19-22)17(20)21/h1-6,15H,7-9H2
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510n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15907
PNG
(Aminopyridine-Based Inhibitor 6a | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(C)=O)cc(N)c1C#N
Show InChI InChI=1S/C10H12N4O2/c1-3-16-10-7(5-11)8(12)4-9(14-10)13-6(2)15/h4H,3H2,1-2H3,(H3,12,13,14,15)
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520n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...


J Med Chem 49: 3563-80 (2006)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2P26WDX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15621
PNG
(N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H...)
Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)
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550n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


J Med Chem 50: 1280-7 (2007)


Article DOI: 10.1021/jm061381f
BindingDB Entry DOI: 10.7270/Q2BR8QFV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297469
PNG
(CHEMBL552423 | N-(1-((6-fluoro-4H-benzo[d][1,3]dio...)
Show SMILES CCC(=O)Nc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C20H18FN3O5/c1-2-17(25)22-14-3-4-15-16(7-14)24(20(26)18(15)23-27)8-11-5-13(21)6-12-9-28-10-29-19(11)12/h3-7,18H,2,8-10H2,1H3,(H,22,25)
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610n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297470
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES [O-][N+](=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C17H12FN3O6/c18-11-3-9(16-10(4-11)7-26-8-27-16)6-20-14-5-12(21(24)25)1-2-13(14)15(19-23)17(20)22/h1-5,15H,6-8H2
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640n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297471
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C18H15FN2O4/c1-10-3-2-4-14-15(10)16(20-23)18(22)21(14)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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700n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50149239
PNG
(2,4-Dioxo-6-phenylamino-1,2,3,4-tetrahydro-pyrimid...)
Show SMILES O=C(Nc1ccccc1)c1c(Nc2ccccc2)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C17H14N4O3/c22-15(19-12-9-5-2-6-10-12)13-14(20-17(24)21-16(13)23)18-11-7-3-1-4-8-11/h1-10H,(H,19,22)(H3,18,20,21,23,24)
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720n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Affinity for c-Jun N-terminal kinase 3


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297461
PNG
((3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=Cc2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,23H,13-15H2
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740n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297472
PNG
(5-chloro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3cc(Cl)ccc23)c2OCOCc2c1
Show InChI InChI=1S/C17H12ClFN2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
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740n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15625
PNG
(4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(3,4-dif...)
Show SMILES Fc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1F
Show InChI InChI=1S/C21H15ClF2N4O/c22-15-3-1-2-13(7-15)16-11-27-28-20(16)14-8-19(25-10-14)21(29)26-9-12-4-5-17(23)18(24)6-12/h1-8,10-11,25H,9H2,(H,26,29)(H,27,28)
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790n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


J Med Chem 50: 1280-7 (2007)


Article DOI: 10.1021/jm061381f
BindingDB Entry DOI: 10.7270/Q2BR8QFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297473
PNG
(1-(3,5-dimethoxybenzyl)-5-fluoro-3-(hydroxyimino)i...)
Show SMILES COc1cc(CN2C(=O)C(N=O)c3cc(F)ccc23)cc(OC)c1
Show InChI InChI=1S/C17H15FN2O4/c1-23-12-5-10(6-13(8-12)24-2)9-20-15-4-3-11(18)7-14(15)16(19-22)17(20)21/h3-8,16H,9H2,1-2H3
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790n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15626
PNG
(4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(4-metho...)
Show SMILES COc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C22H19ClN4O2/c1-29-18-7-5-14(6-8-18)11-25-22(28)20-10-16(12-24-20)21-19(13-26-27-21)15-3-2-4-17(23)9-15/h2-10,12-13,24H,11H2,1H3,(H,25,28)(H,26,27)
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840n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


J Med Chem 50: 1280-7 (2007)


Article DOI: 10.1021/jm061381f
BindingDB Entry DOI: 10.7270/Q2BR8QFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297474
PNG
(3-(hydroxyimino)-1-(3-nitrobenzyl)indolin-2-one | ...)
Show SMILES [O-][N+](=O)c1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
Show InChI InChI=1S/C15H11N3O4/c19-15-14(16-20)12-6-1-2-7-13(12)17(15)9-10-4-3-5-11(8-10)18(21)22/h1-8,14H,9H2
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940n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297475
PNG
(1-(3,5-dimethoxybenzyl)-3-(hydroxyimino)indolin-2-...)
Show SMILES COc1cc(CN2C(=O)C(N=O)c3ccccc23)cc(OC)c1
Show InChI InChI=1S/C17H16N2O4/c1-22-12-7-11(8-13(9-12)23-2)10-19-15-6-4-3-5-14(15)16(18-21)17(19)20/h3-9,16H,10H2,1-2H3
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990n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297476
PNG
(CHEMBL562919 | N-ethyl-1-((6-fluoro-4H-benzo[d][1,...)
Show SMILES CCNC(=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C20H18FN3O5/c1-2-22-19(25)11-3-4-15-16(7-11)24(20(26)17(15)23-27)8-12-5-14(21)6-13-9-28-10-29-18(12)13/h3-7,17H,2,8-10H2,1H3,(H,22,25)
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1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297477
PNG
(4-ethyl-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)
Show SMILES CCc1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C19H17FN2O4/c1-2-11-4-3-5-15-16(11)17(21-24)19(23)22(15)8-12-6-14(20)7-13-9-25-10-26-18(12)13/h3-7,17H,2,8-10H2,1H3
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1.40E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297478
PNG
(5-fluoro-3-(hydroxyimino)-1-(4-methoxybenzyl)indol...)
Show SMILES COc1ccc(CN2C(=O)C(N=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C16H13FN2O3/c1-22-12-5-2-10(3-6-12)9-19-14-7-4-11(17)8-13(14)15(18-21)16(19)20/h2-8,15H,9H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297479
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3cc(OC(F)(F)F)ccc23)c2OCOCc2c1
Show InChI InChI=1S/C18H12F4N2O5/c19-11-3-9(16-10(4-11)7-27-8-28-16)6-24-14-2-1-12(29-18(20,21)22)5-13(14)15(23-26)17(24)25/h1-5,15H,6-8H2
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1.70E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297480
PNG
((3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3-c2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C23H17FN2O4/c24-17-9-15(22-16(10-17)12-29-13-30-22)11-26-19-8-4-7-18(14-5-2-1-3-6-14)20(19)21(25-28)23(26)27/h1-10,21H,11-13H2
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1.80E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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