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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 = 'BDBM50134928'   
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))
BDBM50134928
PNG
(CHEMBL3747368)
Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc(F)c(NS(N)(=O)=O)c1
Show InChI InChI=1S/C19H14F3IN4O4S/c20-9-5-16(26-14-4-1-10(23)7-13(14)22)18(19(24)28)17(6-9)31-11-2-3-12(21)15(8-11)27-32(25,29)30/h1-8,26-27H,(H2,24,28)(H2,25,29,30)
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Similars

Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair