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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 = 'BDBM50263396'   
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))		BDBM50263396
PNG
(CHEMBL476763 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair