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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 = 50301835   
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))
BDBM50301835
PNG
(CHEMBL572184 | N-(3-bromobenzyl)-2-(3-methyl-1,2-d...)
Show SMILES CC1(CC(=O)NCc2cccc(Br)c2)CC2(CCCCC2)OO1
Show InChI InChI=1S/C18H24BrNO3/c1-17(13-18(23-22-17)8-3-2-4-9-18)11-16(21)20-12-14-6-5-7-15(19)10-14/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Institute Infectious Diseases Initiative

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 19: 5657-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.024
BindingDB Entry DOI: 10.7270/Q22R3RRX
More data for this
Ligand-Target Pair