Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50437728'   

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))	BDBM50437728 (CHEMBL2409386) Show SMILES COc1cccnc1C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r| Show InChI InChI=1S/C22H26N2O3/c1-27-20-7-4-10-23-21(20)22(26)15-8-11-24(12-9-15)18-13-16-5-2-3-6-17(16)14-19(18)25/h2-7,10,15,18-19,25H,8-9,11-14H2,1H3/t18-,19-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	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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