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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 = 'BDBM50187855'   
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))
BDBM50187855
PNG
(3-hydroxy-N-(1-hydroxypropan-2-yl)-5-(4-iodo-2-met...)
Show SMILES CC(CO)NC(=N)c1c(Nc2ccc(I)cc2C)s[nH]c1=O
Show InChI InChI=1S/C14H17IN4O2S/c1-7-5-9(15)3-4-10(7)18-14-11(13(21)19-22-14)12(16)17-8(2)6-20/h3-5,8,18,20H,6H2,1-2H3,(H2,16,17)(H,19,21)
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MMDB

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Similars

Article
PubMed
n/an/a 73n/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