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BDBM50347101 CHEMBL1797204

SMILES: CN1CCN(CC1)c1cc(F)c(c(F)c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O

InChI Key: InChIKey=GLELDFVFRGSVIU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347101   
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))
BDBM50347101
PNG
(CHEMBL1797204)
Show SMILES CN1CCN(CC1)c1cc(F)c(c(F)c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(9.91,-37.66,;8.58,-36.88,;7.24,-37.65,;5.91,-36.88,;5.92,-35.34,;7.25,-34.56,;8.58,-35.34,;4.59,-34.57,;4.59,-33.02,;3.25,-32.26,;3.25,-30.72,;1.93,-33.03,;1.92,-34.57,;.59,-35.33,;3.25,-35.34,;.6,-32.25,;.6,-30.71,;1.93,-29.95,;-.73,-29.94,;-2.06,-30.71,;-3.4,-29.95,;-4.73,-30.72,;-6.06,-29.96,;-7.38,-30.73,;-8.72,-29.97,;-8.73,-28.43,;-10.07,-27.66,;-7.4,-27.65,;-6.06,-28.42,;-4.73,-27.65,;-2.06,-32.25,;-3.39,-33.03,;-.73,-33.02,;-.73,-34.56,)|
Show InChI InChI=1S/C24H22BrF4N3O2/c1-14-9-21(34-13-15-3-4-16(26)10-18(15)27)22(25)24(33)32(14)23-19(28)11-17(12-20(23)29)31-7-5-30(2)6-8-31/h3-4,9-12H,5-8,13H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 14n/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