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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50317579'   
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


(Mus musculus (mouse))
BDBM50317579
PNG
(6-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-2H-q...)
Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cccc3F)c(=O)ccn12 |(29.65,-6.7,;29.65,-5.16,;28.31,-4.39,;28.31,-2.85,;29.65,-2.08,;30.98,-2.84,;32.31,-2.07,;30.99,-4.38,;29.65,-.54,;30.98,.23,;30.98,1.77,;29.65,2.53,;28.33,1.77,;27,2.55,;27,4.09,;28.33,4.85,;29.67,4.08,;28.33,6.39,;27,7.17,;25.66,6.39,;25.67,4.85,;24.33,4.08,;25.67,1.77,;24.33,2.53,;25.67,.23,;27,-.54,;28.32,.23,)|
Show InChI InChI=1S/C21H11F4NO/c22-12-7-8-13(16(25)11-12)17-5-2-6-18-21(19(27)9-10-26(17)18)20-14(23)3-1-4-15(20)24/h1-11H
PDB
MMDB

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Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM50317579
PNG
(6-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-2H-q...)
Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cccc3F)c(=O)ccn12 |(29.65,-6.7,;29.65,-5.16,;28.31,-4.39,;28.31,-2.85,;29.65,-2.08,;30.98,-2.84,;32.31,-2.07,;30.99,-4.38,;29.65,-.54,;30.98,.23,;30.98,1.77,;29.65,2.53,;28.33,1.77,;27,2.55,;27,4.09,;28.33,4.85,;29.67,4.08,;28.33,6.39,;27,7.17,;25.66,6.39,;25.67,4.85,;24.33,4.08,;25.67,1.77,;24.33,2.53,;25.67,.23,;27,-.54,;28.32,.23,)|
Show InChI InChI=1S/C21H11F4NO/c22-12-7-8-13(16(25)11-12)17-5-2-6-18-21(19(27)9-10-26(17)18)20-14(23)3-1-4-15(20)24/h1-11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha after 3 hrs by SPA method


Bioorg Med Chem Lett 20: 2765-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.069
BindingDB Entry DOI: 10.7270/Q23T9HCC
More data for this
Ligand-Target Pair