Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50443882'   

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))	BDBM50443882 (CHEMBL3091529) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair