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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 = 'BDBM50173830'   
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))
BDBM50173830
PNG
((S)-4-(3-chloro-4-fluorophenylamino)-6-(1-phenylet...)
Show SMILES C[C@H](Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C23H17ClFN5/c1-14(15-5-3-2-4-6-15)29-22-10-18-21(13-28-22)27-12-16(11-26)23(18)30-17-7-8-20(25)19(24)9-17/h2-10,12-14H,1H3,(H,27,30)(H,28,29)/t14-/m0/s1
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Similars

Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphorylation


Bioorg Med Chem Lett 15: 5288-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.029
BindingDB Entry DOI: 10.7270/Q2JS9Q0M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50173830
PNG
((S)-4-(3-chloro-4-fluorophenylamino)-6-(1-phenylet...)
Show SMILES C[C@H](Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C23H17ClFN5/c1-14(15-5-3-2-4-6-15)29-22-10-18-21(13-28-22)27-12-16(11-26)23(18)30-17-7-8-20(25)19(24)9-17/h2-10,12-14H,1H3,(H,27,30)(H,28,29)/t14-/m0/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Tpl2 by ELISA


J Biol Chem 282: 33295-304 (2007)


Article DOI: 10.1074/jbc.M703694200
BindingDB Entry DOI: 10.7270/Q2KS6RBP
More data for this
Ligand-Target Pair