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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 = 'BDBM21925'   
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))
BDBM21925
PNG
(8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-...)
Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)
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Similars

Article
PubMed
n/an/a 18n/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))
BDBM21925
PNG
(8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-...)
Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/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