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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 = 'BDBM50296762'   
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))		BDBM50296762
PNG
(CHEMBL550114 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)CC(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C18H21F6N3O2/c19-13-7-15(21)14(20)5-10(13)4-11(25)6-17(29)27-3-1-2-12(27)9-26-16(28)8-18(22,23)24/h5,7,11-12H,1-4,6,8-9,25H2,(H,26,28)/t11-,12+/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human human liver microsomes by mass spectrometry

Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair