Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50336075'   

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))	BDBM50336075 (2-((2-(2-(3-fluoroazetidin-1-yl)ethyl)-1H-inden-3-...) Show SMILES FC1CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:6| Show InChI InChI=1S/C19H20FN3/c20-16-12-23(13-16)8-5-15-9-14-3-1-2-4-18(14)19(15)10-17-11-21-6-7-22-17/h1-4,6-7,11,16H,5,8-10,12-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 947-51 (2011) Article DOI: 10.1016/j.bmcl.2010.12.053 BindingDB Entry DOI: 10.7270/Q2319W59
					More data for this Ligand-Target Pair