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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50170831
PNG
(CHEMBL188343 | N*6*-Cyclohexyl-N*2*-(4-morpholin-4...)
Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
Show InChI InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MEK1 in mouse C2C12 by ERK2 phosphorylation assay


Proc Natl Acad Sci U S A 104: 10482-7 (2007)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Mus musculus)
BDBM50180839
PNG
(CHEMBL1998165)
Show SMILES CNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H15F3IN3O2/c1-21-6-7-25-23-16(24)10-3-4-11(17)14(19)15(10)22-13-5-2-9(20)8-12(13)18/h2-5,8,21-22H,6-7H2,1H3,(H,23,24)
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PC cid
PC sid
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PubMed
n/an/a 20n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of MEK1 in mouse C26 cells assessed as inhibition of ERK1/2 phosphorylation incubated for 1 hr by Western blotting


J Med Chem 59: 2512-22 (2016)

More data for this
Ligand-Target Pair