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Compile Data Set for Download or QSAR

Found 454 hits Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039623
PNG
((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
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0.00650n/an/an/an/an/an/an/an/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)
BDBM50039623
PNG
((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
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0.0130n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039622
PNG
((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
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0.0500n/an/an/an/an/an/an/an/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
PNG
((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
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0.0550n/an/an/an/an/an/an/an/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
PNG
((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
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0.0550n/an/an/an/an/an/an/an/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
PNG
((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
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0.0550n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50039613
PNG
((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
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0.0550n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity to VAChT


Bioorg Med Chem 20: 4422-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.045
BindingDB Entry DOI: 10.7270/Q29K4C9C
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039613
PNG
((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
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0.0550n/an/an/an/an/an/an/an/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)
BDBM50039613
PNG
((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
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0.0550n/an/an/an/an/an/an/an/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)
BDBM50039604
PNG
((+)-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
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0.0630n/an/an/an/an/an/an/an/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)
BDBM50039610
PNG
(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
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0.121n/an/an/an/an/an/an/an/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))
BDBM50039604
PNG
((+)-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
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0.130n/an/an/an/an/an/an/an/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
PNG
((+)-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
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0.130n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 A123.7 cells after 20 hrs


J Med Chem 54: 5362-72 (2011)


Article DOI: 10.1021/jm200203f
BindingDB Entry DOI: 10.7270/Q2QC03VC
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50039604
PNG
((+)-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
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0.130n/an/an/an/an/an/an/an/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)
BDBM50039628
PNG
((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
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0.147n/an/an/an/an/an/an/an/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)
BDBM50039605
PNG
((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
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0.212n/an/an/an/an/an/an/an/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
PNG
((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
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0.220n/an/an/an/an/an/an/an/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))
BDBM50046952
PNG
((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
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0.220n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity to VAChT


Bioorg Med Chem 20: 4422-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.045
BindingDB Entry DOI: 10.7270/Q29K4C9C
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50046952
PNG
((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
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0.220n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 A123.7 cells after 20 hrs


J Med Chem 54: 5362-72 (2011)


Article DOI: 10.1021/jm200203f
BindingDB Entry DOI: 10.7270/Q2QC03VC
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039616
PNG
(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
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0.248n/an/an/an/an/an/an/an/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
PNG
((+/-)-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
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0.25n/an/an/an/an/an/an/an/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
PNG
((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
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0.260n/an/an/an/an/an/an/an/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
PNG
(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
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0.264n/an/an/an/an/an/an/an/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
PNG
((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
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0.271n/an/an/an/an/an/an/an/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))
BDBM50079275
PNG
(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
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0.300n/an/an/an/an/an/an/an/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))
BDBM50366029
PNG
(CHEMBL1956465)
Show SMILES CCN(C(=O)CF)c1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H31FN2O2/c1-2-28(25(30)17-26)22-10-6-9-20-15-24(29)23(16-21(20)22)27-13-11-19(12-14-27)18-7-4-3-5-8-18/h3-10,19,23-24,29H,2,11-17H2,1H3/t23-,24-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Binding affinity to VAchT


Bioorg Med Chem Lett 22: 2163-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.127
BindingDB Entry DOI: 10.7270/Q2K9380F
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50095010
PNG
(CHEMBL264437)
Show SMILES O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1 |c:3|
Show InChI InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-7,15-17,19H,8-13H2/t16-,17-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039621
PNG
(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
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0.360n/an/an/an/an/an/an/an/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)
BDBM50039617
PNG
(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
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0.360n/an/an/an/an/an/an/an/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))
BDBM50039621
PNG
(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
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0.360n/an/an/an/an/an/an/an/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))
BDBM50039617
PNG
(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
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0.360n/an/an/an/an/an/an/an/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))
BDBM50079278
PNG
((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
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0.400n/an/an/an/an/an/an/an/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
PNG
(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
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0.410n/an/an/an/an/an/an/an/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
PNG
((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
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0.410n/an/an/an/an/an/an/an/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
PNG
((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
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0.440n/an/an/an/an/an/an/an/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))
BDBM50046952
PNG
((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
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0.440n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Binding affinity to VAchT


Bioorg Med Chem Lett 22: 2163-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.127
BindingDB Entry DOI: 10.7270/Q2K9380F
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50292905
PNG
((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
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0.450n/an/an/an/an/an/an/an/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))
BDBM50292910
PNG
((+/-)-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
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0.480n/an/an/an/an/an/an/an/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
PNG
(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
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0.530n/an/an/an/an/an/an/an/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
PNG
(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
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0.540n/an/an/an/an/an/an/an/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


(Homo sapiens (Human))
BDBM50108984
PNG
(CHEMBL3597321)
Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2
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0.590n/an/an/an/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039620
PNG
(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
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0.638n/an/an/an/an/an/an/an/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
PNG
(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
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0.660n/an/an/an/an/an/an/an/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
PNG
(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
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0.660n/an/an/an/an/an/an/an/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
PNG
(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
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0.670n/an/an/an/an/an/an/an/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)
BDBM50039611
PNG
(1-(4-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydro...)
Show SMILES O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 |c:24|
Show InChI InChI=1S/C25H29IN2O/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
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0.762n/an/an/an/an/an/an/an/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))
BDBM50292906
PNG
((2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1...)
Show SMILES O[C@@H]1Cc2cccc(OCCCF)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H30FNO2/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/h1-4,6-9,19,22-23,27H,5,10-17H2/t22-,23-/m1/s1
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0.770n/an/an/an/an/an/an/an/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))
BDBM50437713
PNG
(CHEMBL2409366)
Show SMILES CNc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1Cc2ccccc2C[C@@H]1O |r|
Show InChI InChI=1S/C23H28N2O2/c1-24-20-8-6-16(7-9-20)23(27)17-10-12-25(13-11-17)21-14-18-4-2-3-5-19(18)15-22(21)26/h2-9,17,21-22,24,26H,10-15H2,1H3/t21-,22-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 cell membrane after 20 hrs


J Med Chem 56: 6216-33 (2013)


Article DOI: 10.1021/jm400664x
BindingDB Entry DOI: 10.7270/Q2930VMV
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039607
PNG
(1-(2-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydro...)
Show SMILES O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 |c:24|
Show InChI InChI=1S/C25H29IN2O/c26-22-8-4-2-6-20(22)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-19-5-1-3-7-21(19)25/h1-9,11,23-24,29H,10,12-18H2/t23-,24-/m1/s1
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0.798n/an/an/an/an/an/an/an/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)
BDBM50039624
PNG
(1-(4-iodobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4...)
Show SMILES O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C25H31IN2O/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
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0.800n/an/an/an/an/an/an/an/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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