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Compile Data Set for Download or QSAR

Found 268 hits of affinity data for UniProtKB/TrEMBL: Q16572   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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


(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
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
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
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))
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
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



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
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
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 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
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


(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
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))
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
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

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


(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
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


(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


(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
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
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
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

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
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

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))
BDBM50108984
PNG
(CHEMBL3597321)
Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/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

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)


Article DOI: 10.1016/j.bmc.2015.05.058
BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
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


(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
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

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
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

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


(Homo sapiens (Human))
BDBM50108979
PNG
(CHEMBL3597316)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCOCCF)cc1
Show InChI InChI=1S/C26H32FNO4/c27-11-14-31-15-16-32-23-7-5-19(6-8-23)26(30)20-9-12-28(13-10-20)24-17-21-3-1-2-4-22(21)18-25(24)29/h1-8,20,24-25,29H,9-18H2/t24-,25-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Washington University

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)


Article DOI: 10.1016/j.bmc.2015.05.058
BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50437722
PNG
(CHEMBL2409373)
Show SMILES CN(C)c1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O
Show InChI InChI=1S/C24H30N2O2/c1-25(2)21-9-7-17(8-10-21)24(28)18-11-13-26(14-12-18)22-15-19-5-3-4-6-20(19)16-23(22)27/h3-10,18,22-23,27H,11-16H2,1-2H3/t22-,23-/m1/s1
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0.930n/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 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


(Homo sapiens (Human))
BDBM50079274
PNG
((4aR,6R,7R,8aR)-1-(4-Fluoro-benzyl)-7-(4-phenyl-pi...)
Show SMILES O[C@@H]1C[C@H]2CCCN(Cc3ccc(F)cc3)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C27H35FN2O/c28-24-10-8-20(9-11-24)19-30-14-4-7-23-17-27(31)26(18-25(23)30)29-15-12-22(13-16-29)21-5-2-1-3-6-21/h1-3,5-6,8-11,22-23,25-27,31H,4,7,12-19H2/t23-,25-,26-,27-/m1/s1
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0.990n/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))
BDBM50361992
PNG
(CHEMBL1939699)
Show SMILES FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C23H28FNO/c24-15-7-6-12-22-20-10-4-5-11-21(20)23(26-22)13-16-25(17-14-23)18-19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2
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>1n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Binding affinity to VAChT


Bioorg Med Chem 20: 257-69 (2011)


Article DOI: 10.1016/j.bmc.2011.11.002
BindingDB Entry DOI: 10.7270/Q2NG4R2V
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50299280
PNG
(1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...)
Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2
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>1n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Binding affinity to VAChT


Bioorg Med Chem 20: 257-69 (2011)


Article DOI: 10.1016/j.bmc.2011.11.002
BindingDB Entry DOI: 10.7270/Q2NG4R2V
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50108980
PNG
(CHEMBL3597317)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCOCCOCCF)cc1
Show InChI InChI=1S/C28H36FNO5/c29-11-14-33-15-16-34-17-18-35-25-7-5-21(6-8-25)28(32)22-9-12-30(13-10-22)26-19-23-3-1-2-4-24(23)20-27(26)31/h1-8,22,26-27,31H,9-20H2/t26-,27-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Washington University

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)


Article DOI: 10.1016/j.bmc.2015.05.058
BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50334158
PNG
(1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...)
Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2
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1.40n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Binding affinity to VAChT


Bioorg Med Chem 20: 257-69 (2011)


Article DOI: 10.1016/j.bmc.2011.11.002
BindingDB Entry DOI: 10.7270/Q2NG4R2V
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50108983
PNG
(CHEMBL3597320)
Show SMILES O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/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/t21-,22-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Washington University

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)


Article DOI: 10.1016/j.bmc.2015.05.058
BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50292911
PNG
((+/-)-trans-2-Hydroxy-3-(4-(4-aminobenzoyl)piperid...)
Show SMILES Nc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O
Show InChI InChI=1S/C22H26N2O2/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,9-14,23H2/t20-,21-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Washington University

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))
BDBM50108978
PNG
(CHEMBL3597315)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCF)cc1
Show InChI InChI=1S/C24H28FNO3/c25-11-14-29-21-7-5-17(6-8-21)24(28)18-9-12-26(13-10-18)22-15-19-3-1-2-4-20(19)16-23(22)27/h1-8,18,22-23,27H,9-16H2/t22-,23-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Washington University

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)


Article DOI: 10.1016/j.bmc.2015.05.058
BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50292911
PNG
((+/-)-trans-2-Hydroxy-3-(4-(4-aminobenzoyl)piperid...)
Show SMILES Nc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O
Show InChI InChI=1S/C22H26N2O2/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,9-14,23H2/t20-,21-/m1/s1
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1.70n/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 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


(Homo sapiens (Human))
BDBM50018094
PNG
((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(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/t16-,17-/m1/s1
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2n/an/an/an/an/an/an/an/a



Washington University

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))
BDBM50018094
PNG
((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(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/t16-,17-/m1/s1
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2n/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))
BDBM50018094
PNG
((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(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/t16-,17-/m1/s1
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2n/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))
BDBM413601
PNG
(US10421722, Compound 9b)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(SCCCF)cc1
Show InChI InChI=1S/C25H30FNO2S/c26-12-3-15-30-22-8-6-18(7-9-22)25(29)19-10-13-27(14-11-19)23-16-20-4-1-2-5-21(20)17-24(23)28/h1-2,4-9,19,23-24,28H,3,10-17H2/t23-,24-/m1/s1
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US Patent
2.30n/an/an/an/an/an/an/an/a



Washington University

US Patent


Assay Description
The binding affinity of a compound to VAChT was measured by competition against the binding of 5 nM [3H]Vesamicol to postnuclear supernatant prepared...


US Patent US10421722 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41W3
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM413594
PNG
(US10421722, Compound 3)
Show SMILES CSc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O
Show InChI InChI=1S/C23H27NO2S/c1-27-20-8-6-16(7-9-20)23(26)17-10-12-24(13-11-17)21-14-18-4-2-3-5-19(18)15-22(21)25/h2-9,17,21-22,25H,10-15H2,1H3/t21-,22-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Washington University

US Patent


Assay Description
The binding affinity of a compound to VAChT was measured by competition against the binding of 5 nM [3H]Vesamicol to postnuclear supernatant prepared...


US Patent US10421722 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41W3
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM413600
PNG
(US10421722, Compound 9a)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(SCCF)cc1
Show InChI InChI=1S/C24H28FNO2S/c25-11-14-29-21-7-5-17(6-8-21)24(28)18-9-12-26(13-10-18)22-15-19-3-1-2-4-20(19)16-23(22)27/h1-8,18,22-23,27H,9-16H2/t22-,23-/m1/s1
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US Patent
2.40n/an/an/an/an/an/an/an/a



Washington University

US Patent


Assay Description
The binding affinity of a compound to VAChT was measured by competition against the binding of 5 nM [3H]Vesamicol to postnuclear supernatant prepared...


US Patent US10421722 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41W3
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50292907
PNG
((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO2/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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2.70n/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 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


(Homo sapiens (Human))
BDBM50108986
PNG
(CHEMBL3597324)
Show SMILES O[C@@H]1Cc2cccc(C(=O)c3ccc(F)cc3)c2C[C@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H28FNO2/c29-23-11-9-21(10-12-23)28(32)24-8-4-7-22-17-27(31)26(18-25(22)24)30-15-13-20(14-16-30)19-5-2-1-3-6-19/h1-12,20,26-27,31H,13-18H2/t26-,27-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Washington University

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)


Article DOI: 10.1016/j.bmc.2015.05.058
BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50437721
PNG
(CHEMBL2409374)
Show SMILES CNc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O
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-/m1/s1
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3n/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 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


(Homo sapiens (Human))
BDBM50292909
PNG
((+/-)-trans-2-Hydroxy-3-(4-benzoylpiperidino)tetra...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-21-15-19-9-5-4-8-18(19)14-20(21)23-12-10-17(11-13-23)22(25)16-6-2-1-3-7-16/h1-9,17,20-21,24H,10-15H2/t20-,21-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Washington University

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))
BDBM50292909
PNG
((+/-)-trans-2-Hydroxy-3-(4-benzoylpiperidino)tetra...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-21-15-19-9-5-4-8-18(19)14-20(21)23-12-10-17(11-13-23)22(25)16-6-2-1-3-7-16/h1-9,17,20-21,24H,10-15H2/t20-,21-/m1/s1
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4.30n/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 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


(Homo sapiens (Human))
BDBM50018094
PNG
((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(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/t16-,17-/m1/s1
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4.40n/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))
BDBM50108981
PNG
(CHEMBL3597318)
Show SMILES O[C@@H]1Cc2cccc(O)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c23-17-6-4-14(5-7-17)22(27)15-8-10-24(11-9-15)19-13-18-16(12-21(19)26)2-1-3-20(18)25/h1-7,15,19,21,25-26H,8-13H2/t19-,21-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Washington University

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)


Article DOI: 10.1016/j.bmc.2015.05.058
BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50314878
PNG
(CHEMBL1089205 | CHEMBL1204036)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1cccs1
Show InChI InChI=1S/C20H23NO2S/c22-18-13-16-5-2-1-4-15(16)12-17(18)21-9-7-14(8-10-21)20(23)19-6-3-11-24-19/h1-6,11,14,17-18,22H,7-10,12-13H2/t17-,18-/m1/s1
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5n/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 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


(Homo sapiens (Human))
BDBM50079280
PNG
((4aR,6R,7R,8aR)-1-(3-Iodo-benzyl)-6-(4-phenyl-pipe...)
Show SMILES O[C@@H]1C[C@@H]2[C@H](CCCN2Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C27H35IN2O/c28-24-10-4-6-20(16-24)19-30-13-5-9-23-17-26(27(31)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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5.20n/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
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