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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 8' and Ligand = 'BDBM21933'   
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))
BDBM21933
PNG
(8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-...)
Show SMILES Cn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1
Show InChI InChI=1S/C21H15BrClFN6/c1-30-10-15(28-11-30)9-26-14-4-16-20(29-13-2-3-19(24)18(23)6-13)12(7-25)8-27-21(16)17(22)5-14/h2-6,8,10-11,26H,9H2,1H3,(H,27,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/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))
BDBM21933
PNG
(8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-...)
Show SMILES Cn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1
Show InChI InChI=1S/C21H15BrClFN6/c1-30-10-15(28-11-30)9-26-14-4-16-20(29-13-2-3-19(24)18(23)6-13)12(7-25)8-27-21(16)17(22)5-14/h2-6,8,10-11,26H,9H2,1H3,(H,27,29)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



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