new BindingDB logo
myBDB logout

BDBM21918 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(6-methylpyridin-2-yl)methyl]amino}quinoline-3-carbonitrile::Cyanoquinoline, 31

SMILES: Cc1cccc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)n1

InChI Key: InChIKey=AGOVQCJRUFATTM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21918   
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))
BDBM21918
PNG
(8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(6...)
Show SMILES Cc1cccc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)n1
Show InChI InChI=1S/C23H16Cl2FN5/c1-13-3-2-4-16(30-13)12-28-17-7-18-22(31-15-5-6-21(26)19(24)8-15)14(10-27)11-29-23(18)20(25)9-17/h2-9,11,28H,12H2,1H3,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/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