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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 = 'BDBM50494271'   
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))
BDBM50494271
PNG
(CHEMBL3087480)
Show SMILES CN(C)CCOc1ccc2c(COc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1
Show InChI InChI=1S/C24H22F2N2O3/c1-28(2)9-10-30-18-5-7-19-15(11-18)14-31-23-13-17(4-6-20(23)24(19)29)27-22-8-3-16(25)12-21(22)26/h3-8,11-13,27H,9-10,14H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/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))
BDBM50494271
PNG
(CHEMBL3087480)
Show SMILES CN(C)CCOc1ccc2c(COc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1
Show InChI InChI=1S/C24H22F2N2O3/c1-28(2)9-10-30-18-5-7-19-15(11-18)14-31-23-13-17(4-6-20(23)24(19)29)27-22-8-3-16(25)12-21(22)26/h3-8,11-13,27H,9-10,14H2,1-2H3
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 3.81E+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