Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50437715'   

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))	BDBM50437715 (CHEMBL2409379) Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2c(N)cccc2C[C@H]1O |r| Show InChI InChI=1S/C22H27N3O3/c1-28-21-6-5-16(13-24-21)22(27)14-7-9-25(10-8-14)19-12-17-15(11-20(19)26)3-2-4-18(17)23/h2-6,13-14,19-20,26H,7-12,23H2,1H3/t19-,20-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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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