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BDBM21934 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino}quinoline-3-carbonitrile::Cyanoquinoline, 45

SMILES: CCc1nc(C)c(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH]1

InChI Key: InChIKey=GKQNKXRDYAWUPH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21934   
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))
BDBM21934
PNG
(8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(2...)
Show SMILES CCc1nc(C)c(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH]1
Show InChI InChI=1S/C23H19Cl2FN6/c1-3-21-30-12(2)20(32-21)11-28-15-6-16-22(31-14-4-5-19(26)17(24)7-14)13(9-27)10-29-23(16)18(25)8-15/h4-8,10,28H,3,11H2,1-2H3,(H,29,31)(H,30,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



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