Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50294271'   

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))	BDBM50294271 (5-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)-2-...) Show SMILES Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1 Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-6-14(11-22-12)18(13-7-9-21-10-8-13)23-16-4-2-3-15(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50294271 (5-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)-2-...) Show SMILES Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1 Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-6-14(11-22-12)18(13-7-9-21-10-8-13)23-16-4-2-3-15(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair