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BDBM50194993 4-(3-chloro-4-fluorophenylamino)-6-((tetrahydrofuran-2-yl)methylamino)quinoline-3-carbonitrile::CHEMBL374071

SMILES: Fc1ccc(Nc2c(cnc3ccc(NCC4CCCO4)cc23)C#N)cc1Cl

InChI Key: InChIKey=ZMRAQUWHRWESKS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50194993   
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))
BDBM50194993
PNG
(4-(3-chloro-4-fluorophenylamino)-6-((tetrahydrofur...)
Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCC4CCCO4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H18ClFN4O/c22-18-9-15(3-5-19(18)23)27-21-13(10-24)11-26-20-6-4-14(8-17(20)21)25-12-16-2-1-7-28-16/h3-6,8-9,11,16,25H,1-2,7,12H2,(H,26,27)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Tpl2 kinase by ELISA


Bioorg Med Chem Lett 16: 6067-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.102
BindingDB Entry DOI: 10.7270/Q2W958TR
More data for this
Ligand-Target Pair