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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 Ligand = 'BDBM50014414'   
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))
BDBM50014414
PNG
(CHEMBL3261144)
Show SMILES OC[C@@H](O)CNC(=O)c1ncncc1Nc1ccc(I)cc1F |r|
Show InChI InChI=1S/C14H14FIN4O3/c15-10-3-8(16)1-2-11(10)20-12-5-17-7-19-13(12)14(23)18-4-9(22)6-21/h1-3,5,7,9,20-22H,4,6H2,(H,18,23)/t9-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 in human COLO205 cells


Bioorg Med Chem Lett 24: 2555-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.086
BindingDB Entry DOI: 10.7270/Q2PG1T73
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50014414
PNG
(CHEMBL3261144)
Show SMILES OC[C@@H](O)CNC(=O)c1ncncc1Nc1ccc(I)cc1F |r|
Show InChI InChI=1S/C14H14FIN4O3/c15-10-3-8(16)1-2-11(10)20-12-5-17-7-19-13(12)14(23)18-4-9(22)6-21/h1-3,5,7,9,20-22H,4,6H2,(H,18,23)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem Lett 24: 2555-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.086
BindingDB Entry DOI: 10.7270/Q2PG1T73
More data for this
Ligand-Target Pair