Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50327483'   

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))	BDBM50327483 (2-(4-fluorobenzyl)-8-(1-isopropylpiperidin-4-yloxy...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(Cc4ccc(F)cc4)C(=O)c3cc2c1 Show InChI InChI=1S/C26H30FN3O2/c1-18(2)28-11-9-22(10-12-28)32-23-7-8-24-20(15-23)16-25-26(31)29(13-14-30(24)25)17-19-3-5-21(27)6-4-19/h3-8,15-16,18,22H,9-14,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 5713-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N
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