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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 = 'BDBM50066137'   
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))
BDBM50066137
PNG
(CHEMBL3400287)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(c3)N3CCCS3(=O)=O)c(=O)oc2c1
Show InChI InChI=1S/C23H24N2O6S/c1-15-19-9-8-18(30-23(27)24(2)3)14-21(19)31-22(26)20(15)13-16-6-4-7-17(12-16)25-10-5-11-32(25,28)29/h4,6-9,12,14H,5,10-11,13H2,1-3H3
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Similars

Article
PubMed
n/an/a 27n/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