Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50334593'   

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))	BDBM50334593 (2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair