Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50108986'   

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))	BDBM50108986 (CHEMBL3597324) Show SMILES O[C@@H]1Cc2cccc(C(=O)c3ccc(F)cc3)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C28H28FNO2/c29-23-11-9-21(10-12-23)28(32)24-8-4-7-22-17-27(31)26(18-25(22)24)30-15-13-20(14-16-30)19-5-2-1-3-6-19/h1-12,20,26-27,31H,13-18H2/t26-,27-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	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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