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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 = 'BDBM50454646'   
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))		BDBM50454646
PNG
(CHEMBL4205861)
Show SMILES CCCCNc1nc(N)nc2cccc(OCc3nccc(OC)c3OC)c12
Show InChI InChI=1S/C20H25N5O3/c1-4-5-10-23-19-17-13(24-20(21)25-19)7-6-8-15(17)28-12-14-18(27-3)16(26-2)9-11-22-14/h6-9,11H,4-5,10,12H2,1-3H3,(H3,21,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Infectious Diseases Diagnostics BVBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem Lett 28: 711-719 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.014
BindingDB Entry DOI: 10.7270/Q2K35X8K
More data for this
Ligand-Target Pair