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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 = 'BDBM50425374'   
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))
BDBM50425374
PNG
(CHEMBL2316198)
Show SMILES CNC(=O)CC[C@H](NC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1)C(=O)NC |r|
Show InChI InChI=1S/C29H28F2N4O4/c1-32-26(36)12-11-25(29(39)33-2)35-28(38)18-6-4-16-3-5-17-13-20(8-9-21(17)27(37)22(16)14-18)34-24-10-7-19(30)15-23(24)31/h4,6-10,13-15,25,34H,3,5,11-12H2,1-2H3,(H,32,36)(H,33,39)(H,35,38)/t25-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425374
PNG
(CHEMBL2316198)
Show SMILES CNC(=O)CC[C@H](NC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1)C(=O)NC |r|
Show InChI InChI=1S/C29H28F2N4O4/c1-32-26(36)12-11-25(29(39)33-2)35-28(38)18-6-4-16-3-5-17-13-20(8-9-21(17)27(37)22(16)14-18)34-24-10-7-19(30)15-23(24)31/h4,6-10,13-15,25,34H,3,5,11-12H2,1-2H3,(H,32,36)(H,33,39)(H,35,38)/t25-/m0/s1
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 64n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase in whole blood (unknown origin) assessed as lipopolysaccharide-stimulated TNF-alpha release by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair