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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 = 'BDBM50494495'   
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))
BDBM50494495
PNG
(CHEMBL3092190)
Show SMILES CNS(=O)(=O)Nc1ccc(F)c(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1
Show InChI InChI=1S/C21H22FN3O6S/c1-12-16-7-6-15(30-21(27)25(3)4)11-19(16)31-20(26)17(12)10-13-9-14(5-8-18(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...


ACS Med Chem Lett 4: 1059-63 (2013)


Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ
More data for this
Ligand-Target Pair