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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 = 'BDBM50352569'   
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))
BDBM50352569
PNG
(CHEMBL1825146 | US8772288, 31)
Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26FN3O4S/c1-14-18(11-16(12-20(14)25)22(29)26-17-4-5-17)15-3-6-19-21(13-15)27-23(30)24(19)7-9-28(10-8-24)33(2,31)32/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,26,29)(H,27,30)
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Patents

US Patent
n/an/a 1n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50352569
PNG
(CHEMBL1825146 | US8772288, 31)
Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26FN3O4S/c1-14-18(11-16(12-20(14)25)22(29)26-17-4-5-17)15-3-6-19-21(13-15)27-23(30)24(19)7-9-28(10-8-24)33(2,31)32/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,26,29)(H,27,30)
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay


Bioorg Med Chem Lett 21: 5270-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.033
BindingDB Entry DOI: 10.7270/Q2KD1Z8K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50352569
PNG
(CHEMBL1825146 | US8772288, 31)
Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26FN3O4S/c1-14-18(11-16(12-20(14)25)22(29)26-17-4-5-17)15-3-6-19-21(13-15)27-23(30)24(19)7-9-28(10-8-24)33(2,31)32/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,26,29)(H,27,30)
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PC sid
UniChem

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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha in human whole blood assessed as reduction in TNF-alpha production by ELISA


Bioorg Med Chem Lett 21: 5270-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.033
BindingDB Entry DOI: 10.7270/Q2KD1Z8K
More data for this
Ligand-Target Pair