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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50187801'   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187801
PNG
(5-(2-chloro-4-(trifluoromethyl)phenylamino)-3-hydr...)
Show SMILES CC(C)NC(=N)c1c(Nc2ccc(cc2Cl)C(F)(F)F)s[nH]c1=O
Show InChI InChI=1S/C14H14ClF3N4OS/c1-6(2)20-11(19)10-12(23)22-24-13(10)21-9-4-3-7(5-8(9)15)14(16,17)18/h3-6,21H,1-2H3,(H2,19,20)(H,22,23)
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Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Valeant Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MEK1


Bioorg Med Chem Lett 16: 3975-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.019
BindingDB Entry DOI: 10.7270/Q2SJ1K6C
More data for this
Ligand-Target Pair