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BDBM50347096 CHEMBL1797123

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

InChI Key: InChIKey=GOZUPPYBSRVJCV-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347096   
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))
BDBM50347096
PNG
(CHEMBL1797123)
Show SMILES Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F |(2.41,3.39,;1.07,2.62,;-.26,3.4,;-1.59,2.62,;-2.92,3.39,;-4.25,2.61,;-5.59,3.38,;-6.91,2.6,;-8.25,3.36,;-8.26,4.91,;-9.59,5.67,;-6.92,5.68,;-5.59,4.92,;-4.25,5.69,;-1.59,1.08,;-2.92,.31,;-.26,.32,;-.26,-1.22,;1.07,1.08,;2.4,.31,;3.73,1.08,;3.73,2.62,;5.06,.31,;5.06,-1.23,;3.73,-2,;2.4,-1.23,;1.06,-2,)|
Show InChI InChI=1S/C19H12BrF4NO2/c1-10-7-16(27-9-11-5-6-12(21)8-15(11)24)17(20)19(26)25(10)18-13(22)3-2-4-14(18)23/h2-8H,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Similars

Article
PubMed
n/an/a 3n/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