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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'MAP kinase p38' and Ligand = 'BDBM50089126'   
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
MAP kinase p38


(Mus musculus (mouse))
BDBM50089126
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]...)
Show SMILES CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN3O2/c1-24-12-8-20(25,9-13-24)19-23-17(14-2-4-16(21)5-3-14)18(26-19)15-6-10-22-11-7-15/h2-7,10-11,25H,8-9,12-13H2,1H3
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Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine phosphorylated His-Mitogen-activated protein kinase p38 alpha.


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50089126
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]...)
Show SMILES CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN3O2/c1-24-12-8-20(25,9-13-24)19-23-17(14-2-4-16(21)5-3-14)18(26-19)15-6-10-22-11-7-15/h2-7,10-11,25H,8-9,12-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 350n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair