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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 = 'BDBM50494266'   
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))
BDBM50494266
PNG
(CHEMBL3086674)
Show SMILES OC[C@H](O)COc1ccc2COc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 |r|
Show InChI InChI=1S/C23H19F2NO5/c24-14-2-6-21(20(25)7-14)26-15-3-5-18-22(8-15)31-11-13-1-4-17(9-19(13)23(18)29)30-12-16(28)10-27/h1-9,16,26-28H,10-12H2/t16-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 61n/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))
BDBM50494266
PNG
(CHEMBL3086674)
Show SMILES OC[C@H](O)COc1ccc2COc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 |r|
Show InChI InChI=1S/C23H19F2NO5/c24-14-2-6-21(20(25)7-14)26-15-3-5-18-22(8-15)31-11-13-1-4-17(9-19(13)23(18)29)30-12-16(28)10-27/h1-9,16,26-28H,10-12H2/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 591n/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