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BDBM50347107 CHEMBL1797210

SMILES: OCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F

InChI Key: InChIKey=DGKNVUBVVYMFQC-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 50347107   
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))
BDBM50347107
PNG
(CHEMBL1797210)
Show SMILES OCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F |(3.15,-8.82,;3.15,-10.36,;1.81,-11.13,;.48,-10.35,;-.85,-11.13,;-2.18,-10.36,;-3.52,-11.14,;-4.85,-10.37,;-6.17,-11.15,;-7.51,-10.39,;-7.52,-8.84,;-8.85,-8.08,;-6.18,-8.07,;-4.85,-8.83,;-3.51,-8.06,;-.85,-12.67,;-2.18,-13.44,;.48,-13.43,;.48,-14.97,;1.81,-12.67,;3.14,-13.44,;4.47,-12.67,;4.46,-11.13,;5.8,-13.44,;5.8,-14.99,;4.47,-15.75,;3.13,-14.98,;1.8,-15.75,)|
Show InChI InChI=1S/C19H12BrF4NO3/c20-17-16(28-9-10-4-5-11(21)6-15(10)24)7-12(8-26)25(19(17)27)18-13(22)2-1-3-14(18)23/h1-7,26H,8-9H2
PDB
MMDB

NCI pathway
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PC cid
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Article
PubMed
n/an/a 5n/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