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BDBM50347109 CHEMBL1797212

SMILES: CN(C)Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F

InChI Key: InChIKey=CDUZXXAHLSHGLY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347109   
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))		BDBM50347109
PNG
(CHEMBL1797212)
Show SMILES CN(C)Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F |(3.68,-20.77,;2.34,-21.54,;1.01,-20.77,;2.34,-23.08,;1,-23.85,;-.33,-23.07,;-1.66,-23.85,;-2.99,-23.08,;-4.32,-23.85,;-5.66,-23.09,;-6.98,-23.87,;-8.32,-23.11,;-8.32,-21.56,;-9.66,-20.79,;-6.99,-20.78,;-5.66,-21.55,;-4.32,-20.78,;-1.66,-25.39,;-2.99,-26.16,;-.33,-26.15,;-.33,-27.69,;1,-25.39,;2.33,-26.16,;3.66,-25.39,;3.65,-23.85,;4.99,-26.15,;4.99,-27.7,;3.66,-28.47,;2.33,-27.7,;.99,-28.46,)|
Show InChI InChI=1S/C21H17BrF4N2O2/c1-27(2)10-14-9-18(30-11-12-6-7-13(23)8-17(12)26)19(22)21(29)28(14)20-15(24)4-3-5-16(20)25/h3-9H,10-11H2,1-2H3
PDB
MMDB

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KEGG

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Article
PubMed
n/an/a 6n/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