Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50357678'   

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))	BDBM50357678 (CHEMBL1915274) Show SMILES CN(C)CCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C18H22N4OS/c1-21(2)9-10-22-15-7-6-14(12-13(15)5-8-17(22)23)20-18(19)16-4-3-11-24-16/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H2,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 54: 5562-75 (2011) Article DOI: 10.1021/jm200648s BindingDB Entry DOI: 10.7270/Q2222V58
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