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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 = 'BDBM50494248'   
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))
BDBM50494248
PNG
(CHEMBL3086700)
Show SMILES Fc1ccc(Nc2ccc3c(OCc4cc(OCCN5CCOCC5)ccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C26H24F2N2O4/c27-18-1-6-24(23(28)14-18)29-19-2-4-22-25(15-19)34-16-17-13-20(3-5-21(17)26(22)31)33-12-9-30-7-10-32-11-8-30/h1-6,13-15,29H,7-12,16H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Eberhard-Karls-University T£bingen

Curated by ChEMBL


Assay Description
Competitive inhibition of p38alpha MAP kinase (unknown origin) in presence of 100 uM ATP


J Med Chem 56: 8561-78 (2013)


Article DOI: 10.1021/jm401276h
BindingDB Entry DOI: 10.7270/Q2Q81H2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50494248
PNG
(CHEMBL3086700)
Show SMILES Fc1ccc(Nc2ccc3c(OCc4cc(OCCN5CCOCC5)ccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C26H24F2N2O4/c27-18-1-6-24(23(28)14-18)29-19-2-4-22-25(15-19)34-16-17-13-20(3-5-21(17)26(22)31)33-12-9-30-7-10-32-11-8-30/h1-6,13-15,29H,7-12,16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.18E+4n/an/an/an/an/an/a



Eberhard-Karls-University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase in human whole blood assessed as inhibition of LPS-induced TNFalpha release by ELISA


J Med Chem 56: 8561-78 (2013)


Article DOI: 10.1021/jm401276h
BindingDB Entry DOI: 10.7270/Q2Q81H2C
More data for this
Ligand-Target Pair