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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 = 'BDBM15414'   
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))
BDBM15414
PNG
(4-(4-fluorophenyl)-5-[3-(propan-2-yl)-[1,2,4]triaz...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3
PDB
MMDB

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PDB
Article
PubMed
n/an/a 5n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


J Med Chem 48: 5728-37 (2005)


Article DOI: 10.1021/jm050346q
BindingDB Entry DOI: 10.7270/Q2CR5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15414
PNG
(4-(4-fluorophenyl)-5-[3-(propan-2-yl)-[1,2,4]triaz...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 5n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)