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BDBM50347932 CHEMBL1802635

SMILES: CNC(=O)c1cccc(c1C)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O

InChI Key: InChIKey=XWABHDWTIPOKIW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347932   
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))		BDBM50347932
PNG
(CHEMBL1802635)
Show SMILES CNC(=O)c1cccc(c1C)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(7.91,-18.61,;6.58,-19.39,;5.24,-18.63,;5.23,-17.09,;3.91,-19.4,;3.92,-20.95,;2.58,-21.72,;1.25,-20.96,;1.26,-19.41,;2.58,-18.64,;2.57,-17.1,;-.08,-18.65,;-.08,-17.1,;1.25,-16.32,;-1.42,-16.33,;-2.75,-17.1,;-4.08,-16.33,;-5.42,-17.1,;-6.75,-16.33,;-8.07,-17.1,;-9.41,-16.34,;-9.41,-14.79,;-10.75,-14.03,;-8.08,-14.02,;-6.74,-14.79,;-5.41,-14.03,;-2.75,-18.65,;-4.08,-19.42,;-1.42,-19.42,;-1.42,-20.96,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-9-19(30-11-14-7-8-15(24)10-17(14)25)20(23)22(29)27(12)18-6-4-5-16(13(18)2)21(28)26-3/h4-10H,11H2,1-3H3,(H,26,28)
PDB
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Similars
Article
PubMed
n/an/a 48.5n/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