Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50329778'   

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 (Rattus norvegicus)	BDBM50329778 ((-)-(R,R)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...) Show SMILES O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins				Bioorg Med Chem 18: 7659-67 (2010) Article DOI: 10.1016/j.bmc.2010.08.028 BindingDB Entry DOI: 10.7270/Q2PK0GCD
					More data for this Ligand-Target Pair