Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50263399'   

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))	BDBM50263399 (CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 18: 5533-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.005 BindingDB Entry DOI: 10.7270/Q2BR8S19
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