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BDBM21908 4-[(3-chloro-4-fluorophenyl)amino]-8-(2,3-dihydroxypropoxy)-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile::Cyanoquinoline, 21

SMILES: OCC(O)COc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

InChI Key: InChIKey=HUANMHJBGDCOPW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21908   
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 kinase kinase 8


(Homo sapiens (Human))
BDBM21908
PNG
(4-[(3-chloro-4-fluorophenyl)amino]-8-(2,3-dihydrox...)
Show SMILES OCC(O)COc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
Show InChI InChI=1S/C23H20ClFN6O3/c24-19-4-14(1-2-20(19)25)31-22-13(6-26)7-29-23-18(22)3-15(28-9-16-8-27-12-30-16)5-21(23)34-11-17(33)10-32/h1-5,7-8,12,17,28,32-33H,9-11H2,(H,27,30)(H,29,31)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 830n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...


J Med Chem 50: 4728-45 (2007)


Article DOI: 10.1021/jm070436q
BindingDB Entry DOI: 10.7270/Q2891441
More data for this
Ligand-Target Pair