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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 = 'BDBM50066139'   
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))
BDBM50066139
PNG
(CHEMBL3400285)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(=O)(=O)CCCCl)c3)c(=O)oc2c1
Show InChI InChI=1S/C23H25ClN2O6S/c1-15-19-9-8-18(31-23(28)26(2)3)14-21(19)32-22(27)20(15)13-16-6-4-7-17(12-16)25-33(29,30)11-5-10-24/h4,6-9,12,14,25H,5,10-11,13H2,1-3H3
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Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem 23: 1386-94 (2015)


Article DOI: 10.1016/j.bmc.2015.02.053
BindingDB Entry DOI: 10.7270/Q2G162H4
More data for this
Ligand-Target Pair