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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM31825'   
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))
BDBM31825
PNG
(1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)
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n/an/a 90n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay


J Med Chem 53: 357-67 (2010)


Article DOI: 10.1021/jm901297e
BindingDB Entry DOI: 10.7270/Q29W0FKC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM31825
PNG
(1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)
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n/an/a 170n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...


J Med Chem 53: 357-67 (2010)


Article DOI: 10.1021/jm901297e
BindingDB Entry DOI: 10.7270/Q29W0FKC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM31825
PNG
(1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)
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n/an/an/a 12n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society



Assay Description
Serine/threonine kinase inhibition assay using MAP p38 alpha fluorescence-labeled approach.


Nat Chem Biol 5: 394-6 (2009)


Article DOI: 10.1038/nchembio.162
BindingDB Entry DOI: 10.7270/Q20V8B46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM31825
PNG
(1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)
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PDB
Article
PubMed
n/an/an/a 12n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to p38alpha


J Med Chem 53: 357-67 (2010)


Article DOI: 10.1021/jm901297e
BindingDB Entry DOI: 10.7270/Q29W0FKC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)