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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6 (2D6)' and Ligand = 'BDBM50268442'   
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))
BDBM50268442
PNG
((+/-)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)s...)
Show SMILES O=C(NC1CCc2ccccc2C1)N1CCC2(CC1)CC(=O)c1ccccc1O2
Show InChI InChI=1/C24H26N2O3/c27-21-16-24(29-22-8-4-3-7-20(21)22)11-13-26(14-12-24)23(28)25-19-10-9-17-5-1-2-6-18(17)15-19/h1-8,19H,9-16H2,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair