Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50079274'   

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))	BDBM50079274 ((4aR,6R,7R,8aR)-1-(4-Fluoro-benzyl)-7-(4-phenyl-pi...) Show SMILES O[C@@H]1C[C@H]2CCCN(Cc3ccc(F)cc3)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C27H35FN2O/c28-24-10-8-20(9-11-24)19-30-14-4-7-23-17-27(31)26(18-25(23)30)29-15-12-22(13-16-29)21-5-2-1-3-6-21/h1-3,5-6,8-11,22-23,25-27,31H,4,7,12-19H2/t23-,25-,26-,27-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT)				J Med Chem 42: 2862-9 (1999) Article DOI: 10.1021/jm980560x BindingDB Entry DOI: 10.7270/Q2542MS2
					More data for this Ligand-Target Pair