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BDBM21938 8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[({1-[2-(morpholin-4-yl)ethyl]-1H-imidazol-4-yl}methyl)amino]quinoline-3-carbonitrile::Cyanoquinoline, 49

SMILES: Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(CCN5CCOCC5)cn4)cc23)C#N)cc1Cl

InChI Key: InChIKey=UHCMXSOOCRBFCF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21938   
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))
BDBM21938
PNG
(8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[({1-...)
Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(CCN5CCOCC5)cn4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C26H24BrClFN7O/c27-22-10-19(31-14-20-15-36(16-33-20)4-3-35-5-7-37-8-6-35)9-21-25(17(12-30)13-32-26(21)22)34-18-1-2-24(29)23(28)11-18/h1-2,9-11,13,15-16,31H,3-8,14H2,(H,32,34)
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PC cid
PC sid
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Article
PubMed
n/an/a 41n/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