Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50125263'   

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))	BDBM50125263 (CHEMBL273503 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(CC)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C34H38ClFN4O2S/c1-4-27-22-40(34(37-33(27)42)43-24-26-9-17-31(36)18-10-26)23-32(41)39(20-19-38(5-2)6-3)21-25-7-11-28(12-8-25)29-13-15-30(35)16-14-29/h7-18,22H,4-6,19-21,23-24H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against Cytochrome P450 2D6				Bioorg Med Chem Lett 13: 1067-70 (2003) BindingDB Entry DOI: 10.7270/Q2S75FPD
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