Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50372832'   

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))	BDBM50372832 (CHEMBL272068) Show SMILES Cn1nnnc1-c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)(C)C(O)=O Show InChI InChI=1S/C28H36FN7O3/c1-28(2,26(37)38)22-15-21(25-32-33-34-35(25)3)16-24(17-22)31-27(39)30-11-5-13-36-12-4-6-20(18-36)14-19-7-9-23(29)10-8-19/h7-10,15-17,20H,4-6,11-14,18H2,1-3H3,(H,37,38)(H2,30,31,39)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 18: 576-85 (2008) Article DOI: 10.1016/j.bmcl.2007.11.067 BindingDB Entry DOI: 10.7270/Q2057GS3
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