Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50108979'   

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))	BDBM50108979 (CHEMBL3597316) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCOCCF)cc1 |r| Show InChI InChI=1S/C26H32FNO4/c27-11-14-31-15-16-32-23-7-5-19(6-8-23)26(30)20-9-12-28(13-10-20)24-17-21-3-1-2-4-22(21)18-25(24)29/h1-8,20,24-25,29H,9-18H2/t24-,25-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	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 after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
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