Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50183811'   

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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50183811 (1-ethyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol |...) Show SMILES CCN1CCC(C(O)C1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C17H27N3O/c1-2-18-9-8-16(17(21)14-18)20-12-10-19(11-13-20)15-6-4-3-5-7-15/h3-7,16-17,21H,2,8-14H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université François-Rabelais de Tours Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line				Bioorg Med Chem Lett 16: 2654-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.033 BindingDB Entry DOI: 10.7270/Q29886K9
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