Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50325619'   

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))	BDBM50325619 ((7-fluoro-1H-indol-5-yl)(3-isopentyl pyrrolidin-3-...) Show SMILES CC(C)CCC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1 Show InChI InChI=1S/C18H23FN2O/c1-12(2)3-5-18(6-8-20-11-18)17(22)14-9-13-4-7-21-16(13)15(19)10-14/h4,7,9-10,12,20-21H,3,5-6,8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 5559-66 (2010) Article DOI: 10.1016/j.bmcl.2010.07.020 BindingDB Entry DOI: 10.7270/Q20865HF
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