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BDBM21917 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[({5-[4-hydroxy-1-(propan-2-yl)piperidin-4-yl]pyridin-3-yl}methyl)amino]quinoline-3-carbonitrile::Cyanoquinoline, 30

SMILES: CC(C)N1CCC(O)(CC1)c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1

InChI Key: InChIKey=WNCLPXGGXFSSNB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21917   
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))
BDBM21917
PNG
(8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[({5...)
Show SMILES CC(C)N1CCC(O)(CC1)c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1
Show InChI InChI=1S/C30H29Cl2FN6O/c1-18(2)39-7-5-30(40,6-8-39)21-9-19(14-35-17-21)15-36-23-10-24-28(38-22-3-4-27(33)25(31)11-22)20(13-34)16-37-29(24)26(32)12-23/h3-4,9-12,14,16-18,36,40H,5-8,15H2,1-2H3,(H,37,38)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/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