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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 = 'BDBM50196825'   
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))		BDBM50196825
PNG
(CHEMBL3985610)
Show SMILES Cn1ccn(-c2cccc(O[C@@H]3[C@H](Cc4ccccc34)N3CCCC3)c2)c1=O |r|
Show InChI InChI=1S/C23H25N3O2/c1-24-13-14-26(23(24)27)18-8-6-9-19(16-18)28-22-20-10-3-2-7-17(20)15-21(22)25-11-4-5-12-25/h2-3,6-10,13-14,16,21-22H,4-5,11-12,15H2,1H3/t21-,22-/m0/s1
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PC sid
UniChem

Similars
Article
PubMed
n/an/a<300n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in pooled human hepatic microsomes using dextromethorphan substrate in presence of NADPH

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair