new BindingDB logo
myBDB logout

BDBM21924 2-({8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-3-cyanoquinolin-6-yl}amino)-N-(pyridin-3-yl)acetamide::Cyanoquinoline, 37

SMILES: Fc1ccc(Nc2c(cnc3c(Cl)cc(NCC(=O)Nc4cccnc4)cc23)C#N)cc1Cl

InChI Key: InChIKey=HAGHEVVSBVJEDW-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 = 21924   
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))
BDBM21924
PNG
(2-({8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-3-...)
Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCC(=O)Nc4cccnc4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H15Cl2FN6O/c24-18-7-14(3-4-20(18)26)32-22-13(9-27)10-30-23-17(22)6-16(8-19(23)25)29-12-21(33)31-15-2-1-5-28-11-15/h1-8,10-11,29H,12H2,(H,30,32)(H,31,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/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