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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM15754'   
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))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha in hTERT-immortalized human HCA2 cells assessed as decrease in phosphorylated HSP27 level by ELISA in presence of anisomycin


Bioorg Med Chem Lett 18: 3745-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.037
BindingDB Entry DOI: 10.7270/Q2BG2NSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-induced TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 18: 3745-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.037
BindingDB Entry DOI: 10.7270/Q2BG2NSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)-mediated IL1beta production in peripheral mononucleocytes


Bioorg Med Chem Lett 18: 3745-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.037
BindingDB Entry DOI: 10.7270/Q2BG2NSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)-mediated TNFalpha production in peripheral mononucleocytes


Bioorg Med Chem Lett 18: 3745-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.037
BindingDB Entry DOI: 10.7270/Q2BG2NSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...


J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)