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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 = 'BDBM50206754'   
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))		BDBM50206754
PNG
(CHEMBL3969352)
Show SMILES CCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C24H29BrClNO3/c1-2-28-20-3-4-21(25)19(14-20)13-17-5-8-27(9-6-17)10-7-18-15-23-24(16-22(18)26)30-12-11-29-23/h3-4,14-17H,2,5-13H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes assessed as reduction in formation of 1'-hydroxy-bufuralol from bufuralol preincubated with enzyme fol...

Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair