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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 = 'BDBM50187818'   
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))
BDBM50187818
PNG
(5-(2-chloro-4-iodophenylamino)-3-hydroxy-N-(1-hydr...)
Show SMILES CC(CO)NC(=N)c1c(Nc2ccc(I)cc2Cl)s[nH]c1=O
Show InChI InChI=1S/C13H14ClIN4O2S/c1-6(5-20)17-11(16)10-12(21)19-22-13(10)18-9-3-2-7(15)4-8(9)14/h2-4,6,18,20H,5H2,1H3,(H2,16,17)(H,19,21)
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Article
PubMed
n/an/a 44n/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