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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 = 'BDBM50099373'   
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))
BDBM50099373
PNG
(2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piper...)
Show SMILES CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FN5O/c1-2-18-3-9-22(10-4-18)33-26-29-16-13-23(31-26)25-24(19-5-7-20(27)8-6-19)30-17-32(25)21-11-14-28-15-12-21/h3-10,13,16-17,21,28H,2,11-12,14-15H2,1H3
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MMDB

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Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



University College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Eur J Med Chem 43: 830-8 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.009
BindingDB Entry DOI: 10.7270/Q28052ZC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50099373
PNG
(2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piper...)
Show SMILES CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FN5O/c1-2-18-3-9-22(10-4-18)33-26-29-16-13-23(31-26)25-24(19-5-7-20(27)8-6-19)30-17-32(25)21-11-14-28-15-12-21/h3-10,13,16-17,21,28H,2,11-12,14-15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 7.40n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair