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PubMed code 19361991

Compile data set for download or QSAR
Found 80 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50297454
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3CCc2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C25H21FN2O4/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/h1-8,11-12,23H,9-10,13-15H2
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30n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
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
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
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
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
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
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
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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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 |w:17.18|
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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230n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
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
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
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
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
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
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(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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450n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK1


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


Article DOI: 10.1016/j.bmcl.2009.03.043
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
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
More data for this
Ligand-Target Pair
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
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
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
More data for this
Ligand-Target Pair
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
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 |w:17.18|
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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
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
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
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
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
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
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297481
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C#N)c2OCOCc2c1
Show InChI InChI=1S/C18H12FN3O4/c19-13-4-11(17-12(5-13)8-25-9-26-17)7-22-14-3-1-2-10(6-20)15(14)16(21-24)18(22)23/h1-5,16H,7-9H2
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2.00E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297482
PNG
(1-benzyl-5-bromo-3-(hydroxyimino)indolin-2-one | C...)
Show SMILES Brc1ccc2N(Cc3ccccc3)C(=O)C(N=O)c2c1
Show InChI InChI=1S/C15H11BrN2O2/c16-11-6-7-13-12(8-11)14(17-20)15(19)18(13)9-10-4-2-1-3-5-10/h1-8,14H,9H2
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2.50E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297483
PNG
(3-(hydroxyimino)-5-methyl-1-(3-(trifluoromethyl)be...)
Show SMILES Cc1ccc2N(Cc3cccc(c3)C(F)(F)F)C(=O)C(N=O)c2c1
Show InChI InChI=1S/C17H13F3N2O2/c1-10-5-6-14-13(7-10)15(21-24)16(23)22(14)9-11-3-2-4-12(8-11)17(18,19)20/h2-8,15H,9H2,1H3
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2.70E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50297484
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)
Show SMILES Fc1ccc(cc1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C23H16F2N2O4/c24-16-6-4-13(5-7-16)18-2-1-3-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2
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3.40E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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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4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of FLT3


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


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


(Homo sapiens (Human))
BDBM50297485
PNG
(1-(3-chlorobenzyl)-3-(hydroxyimino)indolin-2-one |...)
Show SMILES Clc1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
Show InChI InChI=1S/C15H11ClN2O2/c16-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(17-20)15(18)19/h1-8,14H,9H2
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5.00E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297486
PNG
(3-(hydroxyimino)-1-(3-(trifluoromethyl)benzyl)indo...)
Show SMILES FC(F)(F)c1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(20-23)15(21)22/h1-8,14H,9H2
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5.20E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297487
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)
Show SMILES Fc1cccc(c1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C23H16F2N2O4/c24-16-4-1-3-13(7-16)18-5-2-6-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2
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5.80E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297488
PNG
(1-(4-chlorobenzyl)-3-(hydroxyimino)indolin-2-one |...)
Show SMILES Clc1ccc(CN2C(=O)C(N=O)c3ccccc23)cc1
Show InChI InChI=1S/C15H11ClN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(17-20)15(18)19/h1-8,14H,9H2
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6.70E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297489
PNG
(3-(hydroxyimino)-1-(3-methylbenzyl)indolin-2-one |...)
Show SMILES Cc1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
Show InChI InChI=1S/C16H14N2O2/c1-11-5-4-6-12(9-11)10-18-14-8-3-2-7-13(14)15(17-20)16(18)19/h2-9,15H,10H2,1H3
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6.80E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297490
PNG
(3-(hydroxyimino)-1-(4-nitrobenzyl)indolin-2-one | ...)
Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)C(N=O)c3ccccc23)cc1
Show InChI InChI=1S/C15H11N3O4/c19-15-14(16-20)12-3-1-2-4-13(12)17(15)9-10-5-7-11(8-6-10)18(21)22/h1-8,14H,9H2
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7.00E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50297487
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)
Show SMILES Fc1cccc(c1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C23H16F2N2O4/c24-16-4-1-3-13(7-16)18-5-2-6-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2
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7.40E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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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8.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


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


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


(Homo sapiens (Human))
BDBM50297491
PNG
(1-(3-fluorobenzyl)-3-(hydroxyimino)indolin-2-one |...)
Show SMILES Fc1cccc(CN2C(=O)C(N=O)c3ccccc23)c1
Show InChI InChI=1S/C15H11FN2O2/c16-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(17-20)15(18)19/h1-8,14H,9H2
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8.10E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297492
PNG
(1-(4-fluorobenzyl)-3-(hydroxyimino)indolin-2-one |...)
Show SMILES Fc1ccc(CN2C(=O)C(N=O)c3ccccc23)cc1
Show InChI InChI=1S/C15H11FN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(17-20)15(18)19/h1-8,14H,9H2
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8.30E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297493
PNG
(1-(2-fluorobenzyl)-3-(hydroxyimino)indolin-2-one |...)
Show SMILES Fc1ccccc1CN1C(=O)C(N=O)c2ccccc12
Show InChI InChI=1S/C15H11FN2O2/c16-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(17-20)15(18)19/h1-8,14H,9H2
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8.50E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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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9.50E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


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


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


(Homo sapiens (Human))
BDBM50297494
PNG
(3-(hydroxyimino)-1-(4-methylbenzyl)indolin-2-one |...)
Show SMILES Cc1ccc(CN2C(=O)C(N=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(17-20)16(18)19/h2-9,15H,10H2,1H3
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9.90E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


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


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


(Homo sapiens (Human))
BDBM50297499
PNG
(1-benzyl-3-(hydroxyimino)-5-methylindolin-2-one | ...)
Show SMILES Cc1ccc2N(Cc3ccccc3)C(=O)C(N=O)c2c1
Show InChI InChI=1S/C16H14N2O2/c1-11-7-8-14-13(9-11)15(17-20)16(19)18(14)10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3
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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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297497
PNG
(1-benzyl-3-(hydroxyimino)indolin-2-one | CHEMBL569...)
Show SMILES O=NC1C(=O)N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H12N2O2/c18-15-14(16-19)12-8-4-5-9-13(12)17(15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
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>1.00E+4n/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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297501
PNG
(3-(hydroxyimino)-5-methyl-1-(3-methylbenzyl)indoli...)
Show SMILES Cc1ccc2N(Cc3cccc(C)c3)C(=O)C(N=O)c2c1
Show InChI InChI=1S/C17H16N2O2/c1-11-4-3-5-13(8-11)10-19-15-7-6-12(2)9-14(15)16(18-21)17(19)20/h3-9,16H,10H2,1-2H3
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>1.00E+4n/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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297498
PNG
(3-(hydroxyimino)-1-(2-nitrobenzyl)indolin-2-one | ...)
Show SMILES [O-][N+](=O)c1ccccc1CN1C(=O)C(N=O)c2ccccc12
Show InChI InChI=1S/C15H11N3O4/c19-15-14(16-20)11-6-2-4-8-13(11)17(15)9-10-5-1-3-7-12(10)18(21)22/h1-8,14H,9H2
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>1.00E+4n/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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297500
PNG
(1-benzyl-5-fluoro-3-(hydroxyimino)indolin-2-one | ...)
Show SMILES Fc1ccc2N(Cc3ccccc3)C(=O)C(N=O)c2c1
Show InChI InChI=1S/C15H11FN2O2/c16-11-6-7-13-12(8-11)14(17-20)15(19)18(13)9-10-4-2-1-3-5-10/h1-8,14H,9H2
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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
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Tie2


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


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


(Homo sapiens (Human))
BDBM50297495
PNG
(1-benzyl-5-chloro-3-(hydroxyimino)indolin-2-one | ...)
Show SMILES Clc1ccc2N(Cc3ccccc3)C(=O)C(N=O)c2c1
Show InChI InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)14(17-20)15(19)18(13)9-10-4-2-1-3-5-10/h1-8,14H,9H2
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1.20E+4n/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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50297484
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)
Show SMILES Fc1ccc(cc1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C23H16F2N2O4/c24-16-6-4-13(5-7-16)18-2-1-3-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2
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1.30E+4n/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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(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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>1.50E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50297454
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3CCc2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C25H21FN2O4/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/h1-8,11-12,23H,9-10,13-15H2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50297484
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)
Show SMILES Fc1ccc(cc1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C23H16F2N2O4/c24-16-6-4-13(5-7-16)18-2-1-3-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50297496
PNG
(CHEMBL559687 | methyl 1-((6-fluoro-4H-benzo[d][1,3...)
Show SMILES COC(=O)c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C19H15FN2O6/c1-26-19(24)13-3-2-4-14-15(13)16(21-25)18(23)22(14)7-10-5-12(20)6-11-8-27-9-28-17(10)11/h2-6,16H,7-9H2,1H3
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>1.50E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


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


(Homo sapiens (Human))
BDBM50297454
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3CCc2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C25H21FN2O4/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/h1-8,11-12,23H,9-10,13-15H2
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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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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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>2.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50297487
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)
Show SMILES Fc1cccc(c1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C23H16F2N2O4/c24-16-4-1-3-13(7-16)18-5-2-6-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2
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2.30E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(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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2.50E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Src


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


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


(Homo sapiens (Human))
BDBM50297496
PNG
(CHEMBL559687 | methyl 1-((6-fluoro-4H-benzo[d][1,3...)
Show SMILES COC(=O)c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C19H15FN2O6/c1-26-19(24)13-3-2-4-14-15(13)16(21-25)18(23)22(14)7-10-5-12(20)6-11-8-27-9-28-17(10)11/h2-6,16H,7-9H2,1H3
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3.00E+4n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of LCK


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK2


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK3


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(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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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of PDK1


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


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


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


(Homo sapiens (Human))
BDBM50297502
PNG
(3-(hydroxyimino)-5-methyl-1-phenylindolin-2-one | ...)
Show SMILES Cc1ccc2N(C(=O)C(N=O)c2c1)c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-10-7-8-13-12(9-10)14(16-19)15(18)17(13)11-5-3-2-4-6-11/h2-9,14H,1H3
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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
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(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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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of SYK


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of AKT3


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(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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>5.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


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


Article DOI: 10.1016/j.bmcl.2009.03.043
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%