Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50352095'   

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))	BDBM50352095 (CHEMBL1824235) Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 5384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.102 BindingDB Entry DOI: 10.7270/Q2DV1K7H
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