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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Monomerid = 50310817   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50310817
PNG
(3-methyl-3-phenyl-N-(2-(quinoxalin-6-yl)ethyl)pipe...)
Show SMILES CC1(CCCN(C1)C(=O)NCCc1ccc2nccnc2c1)c1ccccc1
Show InChI InChI=1/C23H26N4O/c1-23(19-6-3-2-4-7-19)11-5-15-27(17-23)22(28)26-12-10-18-8-9-20-21(16-18)25-14-13-24-20/h2-4,6-9,13-14,16H,5,10-12,15,17H2,1H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair