Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50322852'   

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))	BDBM50322852 (CHEMBL1210552) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 4566-8 (2010) Article DOI: 10.1016/j.bmcl.2010.06.018 BindingDB Entry DOI: 10.7270/Q29G5N00
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50322852 (CHEMBL1210552) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 4566-8 (2010) Article DOI: 10.1016/j.bmcl.2010.06.018 BindingDB Entry DOI: 10.7270/Q29G5N00
					More data for this Ligand-Target Pair