Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50351967'   

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))	BDBM50351967 (CHEMBL1822389) Show SMILES O[C@H]1CN(Cc2cccnc2)CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H28FN3O2/c24-20-5-3-18(4-6-20)23(29)19-7-12-27(13-8-19)21-9-11-26(16-22(21)28)15-17-2-1-10-25-14-17/h1-6,10,14,19,21-22,28H,7-9,11-13,15-16H2/t21-,22-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 A123.7 cells after 20 hrs				J Med Chem 54: 5362-72 (2011) Article DOI: 10.1021/jm200203f BindingDB Entry DOI: 10.7270/Q2QC03VC
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