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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 = 'BDBM50434990'   
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))		BDBM50434990
PNG
(ACT-129968 | SETIPIPRANT)
Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation by LC-MS/MS analysis

J Med Chem 56: 4899-911 (2013)


Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB
More data for this
Ligand-Target Pair