Compile Data Set for Download or QSAR

Found 2579 hits with Last Name = 'fan' and Initial = 's'   

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)	BDBM50039623 ((2R,3R)-5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,...) Show SMILES Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H26N2O/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,9-14,22H2/t20-,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00650	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
Tubulin beta chain (Sus scrofa)	BDBM50485941 (CHEMBL2181004) Show SMILES COc1ccc(CN[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc23)cc1 |r| Show InChI InChI=1S/C28H31NO6/c1-31-19-9-6-17(7-10-19)16-29-22-12-8-18-14-25(33-3)27(34-4)28(35-5)26(18)20-11-13-24(32-2)23(30)15-21(20)22/h6-7,9-11,13-15,22,29H,8,12,16H2,1-5H3/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039622 ((3'R,4'R)-1'-(4-Iodo-benzyl)-4-phenyl-[1,3']bipipe...) Show SMILES O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H29IN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	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 (Torpedo californica)	BDBM50039613 ((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/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/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0550	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))	BDBM50039613 ((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/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/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0550	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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039613 ((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/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/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0550	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 vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039613 ((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/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/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles				J Med Chem 53: 2825-35 (2010) Article DOI: 10.1021/jm9017916 BindingDB Entry DOI: 10.7270/Q2542PJR
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485945 (CHEMBL2181003) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)[N+]([O-])=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28N2O7/c1-33-23-12-10-19-20(14-22(23)30)21(28-15-16-5-8-18(9-6-16)29(31)32)11-7-17-13-24(34-2)26(35-3)27(36-4)25(17)19/h5-6,8-10,12-14,21,28H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0585	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039604 ((+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidi...) Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0630	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
Tubulin beta chain (Sus scrofa)	BDBM50485942 (CHEMBL2181002) Show SMILES COc1cc2CC[C@H](NCc3cc(F)c(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H26F3NO5/c1-33-22-8-6-16-17(12-21(22)32)20(31-13-14-9-18(28)25(30)19(29)10-14)7-5-15-11-23(34-2)26(35-3)27(36-4)24(15)16/h6,8-12,20,31H,5,7,13H2,1-4H3/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0637	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039610 (3-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 |c:20| Show InChI InChI=1S/C23H25NO/c25-22-16-19-7-2-1-6-18(19)15-21(22)24-13-11-23(12-14-24)10-9-17-5-3-4-8-20(17)23/h1-10,21-22,25H,11-16H2/t21-,22-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.121	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
Tubulin beta chain (Sus scrofa)	BDBM50485950 (CHEMBL2181009) Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28FNO5/c1-31-23-11-9-19-20(14-22(23)30)21(29-15-16-6-5-7-18(28)12-16)10-8-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-7,9,11-14,21,29H,8,10,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485944 (CHEMBL2181006) Show SMILES COc1cc2CC[C@H](NCc3ccc(Cl)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28ClNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039604 ((+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidi...) Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039604 ((+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidi...) Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT)				J Med Chem 42: 2862-9 (1999) Article DOI: 10.1021/jm980560x BindingDB Entry DOI: 10.7270/Q2542MS2
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485943 (CHEMBL2181001) Show SMILES COc1cc2CC[C@H](NCc3cc(F)cc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H27F2NO5/c1-32-23-8-6-19-20(13-22(23)31)21(30-14-15-9-17(28)12-18(29)10-15)7-5-16-11-24(33-2)26(34-3)27(35-4)25(16)19/h6,8-13,21,30H,5,7,14H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485946 (CHEMBL2181000) Show SMILES COc1cc2CC[C@H](NCc3ccc(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H27F2NO5/c1-32-23-10-7-17-18(13-22(23)31)21(30-14-15-5-8-19(28)20(29)11-15)9-6-16-12-24(33-2)26(34-3)27(35-4)25(16)17/h5,7-8,10-13,21,30H,6,9,14H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039628 ((3'R,4'R)-1'-(2-Iodo-benzyl)-4-phenyl-[1,3']bipipe...) Show SMILES O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H29IN2O/c24-21-9-5-4-8-20(21)16-25-13-12-23(27)22(17-25)26-14-10-19(11-15-26)18-6-2-1-3-7-18/h1-9,19,22-23,27H,10-17H2/t22-,23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.147	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
Tubulin beta chain (Sus scrofa)	BDBM50485947 (CHEMBL2181008) Show SMILES COc1cc2CC[C@H](NCc3ccc(F)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28FNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485949 (CHEMBL2180999) Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3F)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H27F2NO5/c1-32-22-11-9-17-18(13-21(22)31)20(30-14-16-6-5-7-19(28)25(16)29)10-8-15-12-23(33-2)26(34-3)27(35-4)24(15)17/h5-7,9,11-13,20,30H,8,10,14H2,1-4H3/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039605 ((2R,3R)-3-{4-bromospiro[indene-1,4'-piperidine]-1'...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1c2cccc1Br |c:20| Show InChI InChI=1S/C23H24BrNO/c24-20-7-3-6-19-18(20)8-9-23(19)10-12-25(13-11-23)21-14-16-4-1-2-5-17(16)15-22(21)26/h1-9,21-22,26H,10-15H2/t21-,22-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.212	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))	BDBM50046952 ((3'R,4'R)-1'-(4-Fluoro-benzyl)-4-phenyl-[1,3']bipi...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	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 vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039616 (1-(4-fluorobenzyl)-3-spiro[1H-indene-1,4'-(hexahyd...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 |c:24| Show InChI InChI=1S/C25H29FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-9,11,23-24,29H,10,12-18H2/t23-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.248	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))	BDBM50292908 ((+/-)-trans-2-Hydroxy-3-(4-(4-bromobenzoyl)piperid...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H24BrNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	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 vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50079277 ((4aR,6R,7R,8aR)-1-(3-Iodo-benzyl)-7-(4-phenyl-pipe...) Show SMILES O[C@@H]1C[C@H]2CCCN(Cc3cccc(I)c3)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C27H35IN2O/c28-24-10-4-6-20(16-24)19-30-13-5-9-23-17-27(31)26(18-25(23)30)29-14-11-22(12-15-29)21-7-2-1-3-8-21/h1-4,6-8,10,16,22-23,25-27,31H,5,9,11-15,17-19H2/t23-,25-,26-,27-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT)				J Med Chem 42: 2862-9 (1999) Article DOI: 10.1021/jm980560x BindingDB Entry DOI: 10.7270/Q2542MS2
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039627 (1-(3-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydro...) Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 |c:24| Show InChI InChI=1S/C25H29IN2O/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/h1-8,10,16,23-24,29H,9,11-15,17-18H2/t23-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.264	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 (Torpedo californica)	BDBM50039614 ((2R,3R)-3-(5-bromo-1'H-spiro[indene-1,4'-piperidin...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1cc(Br)ccc21 |c:20| Show InChI InChI=1S/C23H24BrNO/c24-19-5-6-20-18(13-19)7-8-23(20)9-11-25(12-10-23)21-14-16-3-1-2-4-17(16)15-22(21)26/h1-8,13,21-22,26H,9-12,14-15H2/t21-,22-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.271	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
Tubulin beta chain (Sus scrofa)	BDBM50485948 (CHEMBL2181007) Show SMILES COc1cc2CC[C@H](NCc3ccc(I)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28INO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50079275 (CHEMBL97524 | [(4aR,6R,7R,8aR)-6-Hydroxy-7-(4-phen...) Show SMILES O[C@@H]1C[C@H]2CCCN([C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H34N2O2/c30-26-18-23-12-7-15-29(27(31)22-10-5-2-6-11-22)24(23)19-25(26)28-16-13-21(14-17-28)20-8-3-1-4-9-20/h1-6,8-11,21,23-26,30H,7,12-19H2/t23-,24-,25-,26-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT)				J Med Chem 42: 2862-9 (1999) Article DOI: 10.1021/jm980560x BindingDB Entry DOI: 10.7270/Q2542MS2
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039621 (3-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyrid...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C23H27NO/c25-22-16-19-7-2-1-6-18(19)15-21(22)24-13-11-23(12-14-24)10-9-17-5-3-4-8-20(17)23/h1-8,21-22,25H,9-16H2/t21-,22-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	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
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039617 (1-(4-fluorobenzyl)-3-spiro[2,3-dihydro-1H-indene-1...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C25H31FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.360	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 (Torpedo californica)	BDBM50039621 (3-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyrid...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C23H27NO/c25-22-16-19-7-2-1-6-18(19)15-21(22)24-13-11-23(12-14-24)10-9-17-5-3-4-8-20(17)23/h1-8,21-22,25H,9-16H2/t21-,22-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.360	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))	BDBM50039617 (1-(4-fluorobenzyl)-3-spiro[2,3-dihydro-1H-indene-1...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C25H31FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	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
Tubulin beta chain (Sus scrofa)	BDBM50485940 (CHEMBL2181005) Show SMILES COc1cc2CC[C@H](NCc3ccc(Br)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28BrNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463294 (CHEMBL4249256) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](C(=O)c4ccccc4)[C@]2(OC)C=C1)ccc3OC |r,wU:16.16,1.0,wD:17.38,28.36,7.7,19.23,c:37,THB:10:9:17:5.6.4,(9.78,-11.07,;9.03,-9.74,;7.65,-10.81,;5.94,-9.74,;6.72,-8.4,;5.95,-7.07,;6.71,-5.74,;8.25,-5.74,;9.79,-5.74,;9.03,-4.41,;9.78,-3.07,;11.32,-3.05,;12.66,-3.81,;12.64,-2.27,;7.47,-5.14,;7.41,-7.18,;8.25,-8.41,;9.02,-7.07,;10.56,-7.06,;11.34,-8.4,;12.88,-8.4,;13.65,-7.07,;13.65,-9.73,;12.87,-11.06,;13.64,-12.4,;15.18,-12.4,;15.95,-11.05,;15.18,-9.72,;10.59,-9.7,;11.34,-11.07,;10.57,-12.41,;9.25,-8.93,;10.35,-7.84,;4.41,-7.06,;3.64,-8.38,;4.4,-9.72,;3.62,-11.05,;2.08,-11.04,)| Show InChI InChI=1S/C31H33NO4/c1-34-23-11-10-21-16-24-29-12-13-31(35-2,22(17-29)26(33)20-6-4-3-5-7-20)28-30(29,25(21)27(23)36-28)14-15-32(24)18-19-8-9-19/h3-7,10-13,19,22,24,28H,8-9,14-18H2,1-2H3/t22-,24-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463297 (CHEMBL4246433) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50079278 ((4aR,6R,7R,8aR)-1-((E)-3-Iodo-allyl)-7-(4-phenyl-p...) Show SMILES O[C@@H]1C[C@H]2CCCN(C\C=C\I)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H33IN2O/c24-11-5-13-25-12-4-8-20-16-23(27)22(17-21(20)25)26-14-9-19(10-15-26)18-6-2-1-3-7-18/h1-3,5-7,11,19-23,27H,4,8-10,12-17H2/b11-5+/t20-,21-,22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT)				J Med Chem 42: 2862-9 (1999) Article DOI: 10.1021/jm980560x BindingDB Entry DOI: 10.7270/Q2542MS2
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50378728 (CHEMBL1204042) Show SMILES Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1ccc(Br)s1 |r| Show InChI InChI=1S/C20H23BrN2O2S/c21-19-5-4-18(26-19)20(25)12-6-8-23(9-7-12)16-11-14-13(10-17(16)24)2-1-3-15(14)22/h1-5,12,16-17,24H,6-11,22H2/t16-,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles				J Med Chem 53: 2825-35 (2010) Article DOI: 10.1021/jm9017916 BindingDB Entry DOI: 10.7270/Q2542PJR
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039602 ((2R,3R)-3-(2-bromo-1'H-spiro[indene-1,4'-piperidin...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C(Br)=Cc1ccccc21 |c:21| Show InChI InChI=1S/C23H24BrNO/c24-22-15-18-7-3-4-8-19(18)23(22)9-11-25(12-10-23)20-13-16-5-1-2-6-17(16)14-21(20)26/h1-8,15,20-21,26H,9-14H2/t20-,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.410	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))	BDBM50079276 ((4aR,6R,7R,8aR)-7-(4-Phenyl-piperidin-1-yl)-decahy...) Show SMILES O[C@@H]1C[C@H]2CCCN[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C20H30N2O/c23-20-13-17-7-4-10-21-18(17)14-19(20)22-11-8-16(9-12-22)15-5-2-1-3-6-15/h1-3,5-6,16-21,23H,4,7-14H2/t17-,18-,19-,20-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT)				J Med Chem 42: 2862-9 (1999) Article DOI: 10.1021/jm980560x BindingDB Entry DOI: 10.7270/Q2542MS2
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50046952 ((3'R,4'R)-1'-(4-Fluoro-benzyl)-4-phenyl-[1,3']bipi...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292905 ((2R,3R)-5-(3-iodoallyloxy)-3-(4-phenylpiperidin-1-...) Show SMILES O[C@@H]1Cc2cccc(OC\C=C\I)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C24H28INO2/c25-12-5-15-28-24-9-4-8-20-16-23(27)22(17-21(20)24)26-13-10-19(11-14-26)18-6-2-1-3-7-18/h1-9,12,19,22-23,27H,10-11,13-17H2/b12-5+/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	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 vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50506108 (CHEMBL4449252) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NC(=O)c2ccccc2)cc1)ccc3OC |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C37H40N2O4/c1-41-29-15-12-26-20-30-35-16-17-37(42-2,34-36(35,31(26)32(29)43-34)18-19-39(30)22-23-8-9-23)28(21-35)24-10-13-27(14-11-24)38-33(40)25-6-4-3-5-7-25/h3-7,10-15,23,28,30,34H,8-9,16-22H2,1-2H3,(H,38,40)/t28-,30-,34-,35-,36+,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting				J Med Chem 62: 11054-11070 (2019) Article DOI: 10.1021/acs.jmedchem.9b00857 BindingDB Entry DOI: 10.7270/Q2VD72RV
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292910 ((+/-)-trans-2-Hydroxy-3-(4-(4-nitrobenzoyl)piperid...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C22H24N2O4/c25-21-14-18-4-2-1-3-17(18)13-20(21)23-11-9-16(10-12-23)22(26)15-5-7-19(8-6-15)24(27)28/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	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 vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50378726 (CHEMBL1204040) Show SMILES Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H25BrN2O2/c23-17-6-4-14(5-7-17)22(27)15-8-10-25(11-9-15)20-13-18-16(12-21(20)26)2-1-3-19(18)24/h1-7,15,20-21,26H,8-13,24H2/t20-,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles				J Med Chem 53: 2825-35 (2010) Article DOI: 10.1021/jm9017916 BindingDB Entry DOI: 10.7270/Q2542PJR
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50378723 (CHEMBL1204037) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)s1 |r| Show InChI InChI=1S/C20H22BrNO2S/c21-19-6-5-18(25-19)20(24)13-7-9-22(10-8-13)16-11-14-3-1-2-4-15(14)12-17(16)23/h1-6,13,16-17,23H,7-12H2/t16-,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles				J Med Chem 53: 2825-35 (2010) Article DOI: 10.1021/jm9017916 BindingDB Entry DOI: 10.7270/Q2542PJR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463297 (CHEMBL4246433) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039620 (1-(4-iodobenzyl)-3-spiro[1,2,3,4-tetrahydronaphtha...) Show SMILES O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CCCc3ccccc23)CC1 Show InChI InChI=1S/C26H33IN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.638	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 (Torpedo californica)	BDBM50378724 (CHEMBL1204038) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(I)s1 |r| Show InChI InChI=1S/C20H22INO2S/c21-19-6-5-18(25-19)20(24)13-7-9-22(10-8-13)16-11-14-3-1-2-4-15(14)12-17(16)23/h1-6,13,16-17,23H,7-12H2/t16-,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles				J Med Chem 53: 2825-35 (2010) Article DOI: 10.1021/jm9017916 BindingDB Entry DOI: 10.7270/Q2542PJR
					More data for this Ligand-Target Pair
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

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