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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 = 'BDBM50099345'   
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))
BDBM50099345
PNG
(2-(2,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26FN5O/c1-17-3-4-18(2)23(15-17)33-26-29-14-11-22(31-26)25-24(19-5-7-20(27)8-6-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3
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PubMed
n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 1123-6 (2001)


BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50099345
PNG
(2-(2,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26FN5O/c1-17-3-4-18(2)23(15-17)33-26-29-14-11-22(31-26)25-24(19-5-7-20(27)8-6-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Eur J Med Chem 43: 830-8 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.009
BindingDB Entry DOI: 10.7270/Q28052ZC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50099345
PNG
(2-(2,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...)
Show SMILES Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26FN5O/c1-17-3-4-18(2)23(15-17)33-26-29-14-11-22(31-26)25-24(19-5-7-20(27)8-6-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3
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D3R
n/an/an/a 2n/an/an/an/an/a


TBA

Assay Description
D3R2023


Citation and Details

BindingDB Entry DOI: 10.7270/Q251433M
More data for this
Ligand-Target Pair