Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50297085'   

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))	BDBM50297085 ((S)-N-ethyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamide...) Show SMILES CCN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C19H22N2O2/c1-2-21(15-12-13-20-14-15)19(22)17-10-6-7-11-18(17)23-16-8-4-3-5-9-16/h3-11,15,20H,2,12-14H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
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