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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50362099'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50362099
PNG
(CHEMBL1738943 | Thiazole-urea, 9)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccncc2)cs1)C(C)(C)C
Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-21(8-6-18)32-23(15-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-14-34-16-19-9-12-27-13-10-19/h5-10,12-13,15,17H,11,14,16H2,1-4H3,(H2,28,29,30,33)
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Article
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n/an/an/a 586n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 after 5 hrs by fluorescence analysis


Eur J Med Chem 48: 1-15 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.019
BindingDB Entry DOI: 10.7270/Q2W096CH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)