Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50437731'   

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))	BDBM50437731 (CHEMBL2409383) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1cccnc1 |r| Show InChI InChI=1S/C21H24N2O2/c24-20-13-17-5-2-1-4-16(17)12-19(20)23-10-7-15(8-11-23)21(25)18-6-3-9-22-14-18/h1-6,9,14-15,19-20,24H,7-8,10-13H2/t19-,20-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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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