Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50437720'   

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))	BDBM50437720 (CHEMBL2409375) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCF)nc1 |r| Show InChI InChI=1S/C23H27FN2O3/c24-9-12-29-22-6-5-19(15-25-22)23(28)16-7-10-26(11-8-16)20-13-17-3-1-2-4-18(17)14-21(20)27/h1-6,15-16,20-21,27H,7-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 cell membrane after 20 hrs				J Med Chem 56: 6216-33 (2013) Article DOI: 10.1021/jm400664x BindingDB Entry DOI: 10.7270/Q2930VMV
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