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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 = 'BDBM50447472'   
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))		BDBM50447472
PNG
(CHEMBL3115177)
Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
Show InChI InChI=1S/C36H47N7O4S2/c1-25(2)34-40-30(23-48-34)21-43(3)35(45)42-32(16-17-37)33(44)39-28(18-26-10-6-4-7-11-26)14-15-29(19-27-12-8-5-9-13-27)41-36(46)47-22-31-20-38-24-49-31/h4-13,20,23-25,28-29,32H,14-19,21-22,37H2,1-3H3,(H,39,44)(H,41,46)(H,42,45)/t28-,29-,32+/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6

Bioorg Med Chem Lett 24: 995-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.057
BindingDB Entry DOI: 10.7270/Q2P270M7
More data for this
Ligand-Target Pair