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PubMed code 28011205

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM50209764
PNG
(CHEMBL3884776)
Show SMILES O[C@H]1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)C[C@H]1O |r|
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2/t13-,14+/m1/s1
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged MEK1 using ERK1/ERK2 peptide substrate in presence of ATP by ADP-Glo chemiluminescence assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%