Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50001784   

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))	BDBM50018100 ((+/-)-trans-2-hydroxy-3-(4-phenylpiperidino)-cis-d...) Show SMILES OC1CC2CCCCC2CC1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H31NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-3,6-7,17-21,23H,4-5,8-15H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles				J Med Chem 32: 1217-30 (1989) BindingDB Entry DOI: 10.7270/Q2TQ60JR
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50018078 (2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...) Show SMILES OC1CCCCC1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles				J Med Chem 32: 1217-30 (1989) BindingDB Entry DOI: 10.7270/Q2TQ60JR
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50018085 ((+/-)-trans-2-hydroxy-3-(4-(2-methoxyphenyl)1-pipe...) Show SMILES COc1ccccc1N1CCN(CC1)C1CC2CCCCC2CC1O Show InChI InChI=1S/C21H32N2O2/c1-25-21-9-5-4-8-18(21)22-10-12-23(13-11-22)19-14-16-6-2-3-7-17(16)15-20(19)24/h4-5,8-9,16-17,19-20,24H,2-3,6-7,10-15H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles				J Med Chem 32: 1217-30 (1989) BindingDB Entry DOI: 10.7270/Q2TQ60JR
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50018081 (1-(2-Acetoxy-ethyl)-1-methyl-4-phenyl-piperidinium...) Show SMILES CC(=O)OCC[N+]1(C)CCC(CC1)c1ccccc1 |(-.19,3.59,;.58,2.26,;2.11,2.26,;-.19,.92,;.58,-.4,;-.19,-1.73,;-1.73,-1.71,;-.98,-3.04,;-2.49,-3.05,;-4.04,-3.05,;-4.84,-1.71,;-4.06,-.38,;-2.52,-.38,;-6.37,-1.71,;-7.14,-.36,;-8.7,-.35,;-9.47,-1.68,;-8.7,-3.04,;-7.16,-3.04,)| Show InChI InChI=1S/C16H24NO2/c1-14(18)19-13-12-17(2)10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3/q+1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles				J Med Chem 32: 1217-30 (1989) BindingDB Entry DOI: 10.7270/Q2TQ60JR
					More data for this Ligand-Target Pair