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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 = 'BDBM50241072'   
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))
BDBM50241072
PNG
(CHEMBL4079527)
Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccccc5)c(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C31H25F2N3O4/c32-25-16-26(33)28(36-31(40)19-4-2-1-3-5-19)17-27(25)35-22-10-11-23-20(14-22)8-6-18-7-9-21(15-24(18)29(23)38)30(39)34-12-13-37/h1-5,7,9-11,14-17,35,37H,6,8,12-13H2,(H,34,39)(H,36,40)
PDB
MMDB

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241072
PNG
(CHEMBL4079527)
Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccccc5)c(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C31H25F2N3O4/c32-25-16-26(33)28(36-31(40)19-4-2-1-3-5-19)17-27(25)35-22-10-11-23-20(14-22)8-6-18-7-9-21(15-24(18)29(23)38)30(39)34-12-13-37/h1-5,7,9-11,14-17,35,37H,6,8,12-13H2,(H,34,39)(H,36,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-alpha release after 10 mins by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair