Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50327480'   

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))	BDBM50327480 ((R)-8-(3-(2-methylpyrrolidin-1-yl)propoxy)-3,4-dih...) Show SMILES C[C@@H]1CCCN1CCCOc1ccc2n3CCNC(=O)c3cc2c1 |r| Show InChI InChI=1S/C19H25N3O2/c1-14-4-2-8-21(14)9-3-11-24-16-5-6-17-15(12-16)13-18-19(23)20-7-10-22(17)18/h5-6,12-14H,2-4,7-11H2,1H3,(H,20,23)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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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