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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 8' and Ligand = 'BDBM21896'   
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 kinase kinase 8


(Homo sapiens (Human))
BDBM21896
PNG
(4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...)
Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)
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PC sid
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Article
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n/an/a 19n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ...


Bioorg Med Chem Lett 19: 3485-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM21896
PNG
(4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...)
Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Tpl2 kinase by ELISA


Bioorg Med Chem Lett 16: 6067-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.102
BindingDB Entry DOI: 10.7270/Q2W958TR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM21896
PNG
(4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...)
Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)
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UniChem
Article
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n/an/a 20n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...


J Med Chem 50: 4728-45 (2007)


Article DOI: 10.1021/jm070436q
BindingDB Entry DOI: 10.7270/Q2891441
More data for this
Ligand-Target Pair