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BDBM50347930 CHEMBL1802633

SMILES: CN(C)C(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O

InChI Key: InChIKey=KOCGXDXBMZBMRZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347930   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50347930
PNG
(CHEMBL1802633)
Show SMILES CN(C)C(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(19.71,-15.18,;19.71,-13.64,;21.04,-12.87,;18.37,-12.87,;17.04,-13.64,;18.37,-11.33,;19.71,-10.56,;19.7,-9.01,;18.36,-8.25,;18.36,-6.71,;17.05,-9.02,;17.04,-10.56,;15.71,-8.26,;15.7,-6.71,;17.04,-5.93,;14.37,-5.94,;13.04,-6.71,;11.71,-5.94,;10.37,-6.71,;9.04,-5.94,;7.72,-6.71,;6.38,-5.95,;6.38,-4.4,;5.04,-3.63,;7.71,-3.63,;9.05,-4.4,;10.38,-3.63,;13.04,-8.26,;11.7,-9.03,;14.37,-9.03,;14.37,-10.57,)|
Show InChI InChI=1S/C23H21BrF2N2O3/c1-13-5-6-15(22(29)27(3)4)10-19(13)28-14(2)9-20(21(24)23(28)30)31-12-16-7-8-17(25)11-18(16)26/h5-11H,12H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.5n/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