Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50254723'   

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))	BDBM50254723 ((+/-)-5-amino-N-(2-((2,6-difluoro-N-methylbenzamid...) Show SMILES CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C22H19F6N5O3/c1-32(20(35)17-15(24)3-2-4-16(17)25)11-21(36,22(26,27)28)10-30-19(34)14-9-31-33(18(14)29)13-7-5-12(23)6-8-13/h2-9,36H,10-11,29H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
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