Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50441621'   

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))	BDBM50441621 (CHEMBL2437330) Show SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)C(F)F)c(F)c1 |r| Show InChI InChI=1S/C18H22F3N5O4S/c1-29-17(31)22-9-12-10-25(18(28)30-12)11-2-3-14(13(19)8-11)24-5-4-23-26(7-6-24)16(27)15(20)21/h2-3,8,12,15,23H,4-7,9-10H2,1H3,(H,22,31)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Foundation Itsuu Laboratory Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysis				Eur J Med Chem 69: 262-77 (2013) Article DOI: 10.1016/j.ejmech.2013.08.002 BindingDB Entry DOI: 10.7270/Q2DJ5H39
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