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SMILES: Cn1c2nc(NC3CCOCC3)ncc2cc(Sc2ccccc2F)c1=O

InChI Key: InChIKey=SXTGUPPCGSPCRE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50341355   
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))
BDBM50341355
PNG
(6-(2-Fluorophenylthio)-8-methyl-2-(tetrahydro-2H-p...)
Show SMILES Cn1c2nc(NC3CCOCC3)ncc2cc(Sc2ccccc2F)c1=O
Show InChI InChI=1S/C19H19FN4O2S/c1-24-17-12(11-21-19(23-17)22-13-6-8-26-9-7-13)10-16(18(24)25)27-15-5-3-2-4-14(15)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio...


J Med Chem 54: 2255-65 (2011)


Article DOI: 10.1021/jm101423y
BindingDB Entry DOI: 10.7270/Q20P109X
More data for this
Ligand-Target Pair