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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 = 'BDBM50390396'   
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))		BDBM50390396
PNG
(CHEMBL2070947)
Show SMILES CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H29N5O4S2/c1-35(32,33)16-6-7-19-20(14-16)34-23(26-19)29-12-10-28(11-13-29)22(31)18-5-3-2-4-17(18)21(30)27-24(15-25)8-9-24/h6-7,14,17-18H,2-5,8-13H2,1H3,(H,27,30)/t17-,18-/m1/s1
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Similars
Article
PubMed
n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

Bioorg Med Chem Lett 22: 5563-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.012
BindingDB Entry DOI: 10.7270/Q2DF6S86
More data for this
Ligand-Target Pair