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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 = 'BDBM50347121'   
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))
BDBM50347121
PNG
(CHEMBL1797224)
Show SMILES Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H15BrF2N2O3/c1-11-7-17(28-10-13-5-6-14(22)9-16(13)23)18(21)20(27)25(11)15-4-2-3-12(8-15)19(24)26/h2-9H,10H2,1H3,(H2,24,26)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 mins by fluorescence based cascade assay


Bioorg Med Chem Lett 21: 4066-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.121
BindingDB Entry DOI: 10.7270/Q2SB46R2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50347121
PNG
(CHEMBL1797224)
Show SMILES Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H15BrF2N2O3/c1-11-7-17(28-10-13-5-6-14(22)9-16(13)23)18(21)20(27)25(11)15-4-2-3-12(8-15)19(24)26/h2-9H,10H2,1H3,(H2,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation of fluorescently-labelled MK2 using Hsp27 peptide as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 21: 4059-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.120
BindingDB Entry DOI: 10.7270/Q25Q4WFH
More data for this
Ligand-Target Pair