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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 = 'BDBM50122409'   
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))
BDBM50122409
PNG
(1-(2,6-Dichloro-phenyl)-5-(2-fluoro-phenyl)-2-oxo-...)
Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H15Cl2FN2O3/c1-30-21(28)12-9-14(13-5-2-3-8-18(13)25)15-11-26-22(29)27(19(15)10-12)20-16(23)6-4-7-17(20)24/h2-10H,11H2,1H3,(H,26,29)
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PubMed
n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 277-80 (2002)


BindingDB Entry DOI: 10.7270/Q25X2884
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50122409
PNG
(1-(2,6-Dichloro-phenyl)-5-(2-fluoro-phenyl)-2-oxo-...)
Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H15Cl2FN2O3/c1-30-21(28)12-9-14(13-5-2-3-8-18(13)25)15-11-26-22(29)27(19(15)10-12)20-16(23)6-4-7-17(20)24/h2-10H,11H2,1H3,(H,26,29)
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Article
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p38alpha MAPK (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0179-7
BindingDB Entry DOI: 10.7270/Q2WW7MMT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50122409
PNG
(1-(2,6-Dichloro-phenyl)-5-(2-fluoro-phenyl)-2-oxo-...)
Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H15Cl2FN2O3/c1-30-21(28)12-9-14(13-5-2-3-8-18(13)25)15-11-26-22(29)27(19(15)10-12)20-16(23)6-4-7-17(20)24/h2-10H,11H2,1H3,(H,26,29)
PDB
MMDB

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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair