Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50039609'   

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 (Torpedo californica)	BDBM50039609 (1-(3-iodobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C25H31IN2O/c26-21-6-3-4-19(16-21)17-27-13-9-24(29)23(18-27)28-14-11-25(12-15-28)10-8-20-5-1-2-7-22(20)25/h1-7,16,23-24,29H,8-15,17-18H2/t23-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.				J Med Chem 37: 2574-82 (1994) BindingDB Entry DOI: 10.7270/Q2HH6J44
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039609 (1-(3-iodobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C25H31IN2O/c26-21-6-3-4-19(16-21)17-27-13-9-24(29)23(18-27)28-14-11-25(12-15-28)10-8-20-5-1-2-7-22(20)25/h1-7,16,23-24,29H,8-15,17-18H2/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair