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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-Activated Protein Kinase 1' and Monomerid = 50297484   
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))
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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Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2F76CMZ
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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Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2F76CMZ
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
PDB
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KEGG

UniProtKB/SwissProt

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Article
PubMed
>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
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair