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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50305760'   
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


(Homo sapiens (Human))		BDBM50305760
PNG
(3-(1H-imidazol-1-yl)-6-(4-(2-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-4-16(15)28-14-7-10-26(11-8-14)17-5-6-18(25-24-17)27-12-9-23-13-27/h1-6,9,12-14H,7-8,10-11H2
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair