Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50206865'   

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))	BDBM50206865 (CHEMBL3912923) Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1 Show InChI InChI=1S/C18H19N7O/c1-12-8-16(22-17-9-13(2)24-25-17)23-18(15(12)10-19)21-6-7-26-14-4-3-5-20-11-14/h3-5,8-9,11H,6-7H2,1-2H3,(H3,21,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
CXS Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 26: 5860-5862 (2016) Article DOI: 10.1016/j.bmcl.2016.11.020 BindingDB Entry DOI: 10.7270/Q2WS8W80
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