Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50332229'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50332229 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C21H26FN5O/c1-14-5-6-16(22)9-15(14)11-27-18(26-8-4-7-21(2,23)12-26)10-17-19(27)20(28)25(3)13-24-17/h5-6,9-10,13H,4,7-8,11-12,23H2,1-3H3/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 10 mins				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
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