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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 = 'BDBM50059172'   
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))
BDBM50059172
PNG
(CHEMBL3393303)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21(26)27)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)(H,26,27)
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Article
PubMed
n/an/a 86n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059172
PNG
(CHEMBL3393303)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21(26)27)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)(H,26,27)
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Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059172
PNG
(CHEMBL3393303)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21(26)27)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059172
PNG
(CHEMBL3393303)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21(26)27)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)(H,26,27)
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human PBMC assessed as inhibition of LPS-induced TNF-alpha production incubated for 30 mins prior to LPS challenge measure...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair