Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50296775'   

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))	BDBM50296775 ((R)-3-amino-1-((S)-2-((5-fluoropyrimidin-2-ylamino...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncc(F)cn1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H21F4N5O/c20-12-8-25-19(26-9-12)27-10-14-2-1-3-28(14)18(29)6-13(24)4-11-5-16(22)17(23)7-15(11)21/h5,7-9,13-14H,1-4,6,10,24H2,(H,25,26,27)/t13-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human human liver microsomes by mass spectrometry				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
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