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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 = 'BDBM50297377'   
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))		BDBM50297377
PNG
(3-[3-tert-Butylsulfanyl-1-[4-(6-methylpyridin-3-yl...)
Show SMILES Cc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1
Show InChI InChI=1S/C36H39N3O3S/c1-24-10-13-27(21-38-24)26-14-11-25(12-15-26)22-39-31-17-16-29(42-23-28-9-7-8-18-37-28)19-30(31)33(43-35(2,3)4)32(39)20-36(5,6)34(40)41/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>10n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair