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BDBM21916 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridin-3-yl]methyl}amino)quinoline-3-carbonitrile::Cyanoquinoline, 29

SMILES: OC(c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=ACNJPHNKOWBIQK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21916   
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))
BDBM21916
PNG
(8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[5...)
Show SMILES OC(c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H14Cl2F7N5O/c26-18-5-15(1-2-20(18)28)39-21-13(7-35)10-38-22-17(21)4-16(6-19(22)27)37-9-12-3-14(11-36-8-12)23(40,24(29,30)31)25(32,33)34/h1-6,8,10-11,37,40H,9H2,(H,38,39)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+3n/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