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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50362096'   
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))
BDBM50362096
PNG
(CHEMBL1940499)
Show SMILES CCOC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nccs1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-29-18(27)12-14-6-8-15(9-7-14)26-17(13-16(25-26)21(2,3)4)23-19(28)24-20-22-10-11-30-20/h6-11,13H,5,12H2,1-4H3,(H2,22,23,24,28)
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Article
PubMed
n/an/a 639n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...


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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50362096
PNG
(CHEMBL1940499)
Show SMILES CCOC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nccs1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-29-18(27)12-14-6-8-15(9-7-14)26-17(13-16(25-26)21(2,3)4)23-19(28)24-20-22-10-11-30-20/h6-11,13H,5,12H2,1-4H3,(H2,22,23,24,28)
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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-mediated MK2 phosphorylation in anisomysin-stimulated human HeLa cells after 2 hrs by immunoblot 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50362096
PNG
(CHEMBL1940499)
Show SMILES CCOC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nccs1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-29-18(27)12-14-6-8-15(9-7-14)26-17(13-16(25-26)21(2,3)4)23-19(28)24-20-22-10-11-30-20/h6-11,13H,5,12H2,1-4H3,(H2,22,23,24,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 675n/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