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Compile Data Set for Download or QSAR

Found 110 hits of ic50 for UniProtKB: Q16572   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018100
PNG
((+/-)-trans-2-hydroxy-3-(4-phenylpiperidino)-cis-d...)
Show SMILES OC1CC2CCCCC2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H31NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-3,6-7,17-21,23H,4-5,8-15H2
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018100
PNG
((+/-)-trans-2-hydroxy-3-(4-phenylpiperidino)-cis-d...)
Show SMILES OC1CC2CCCCC2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H31NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-3,6-7,17-21,23H,4-5,8-15H2
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183824
PNG
(1-(2-bromobenzyl)-4-(4-phenylpiperazin-1-yl)piperi...)
Show SMILES OC1CN(Cc2ccccc2Br)CCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28BrN3O/c23-20-9-5-4-6-18(20)16-24-11-10-21(22(27)17-24)26-14-12-25(13-15-26)19-7-2-1-3-8-19/h1-9,21-22,27H,10-17H2
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n/an/a 11n/an/an/an/an/an/a



Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
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 |r|
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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n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018108
PNG
(4-tert-Butyl-2-(4-phenyl-piperidin-1-yl)-cyclohexa...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](C1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H33NO/c1-21(2,3)18-9-10-20(23)19(15-18)22-13-11-17(12-14-22)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3/t18-,19+,20+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50046947
PNG
(CHEMBL172975)
Show SMILES O[C@@H]1CCN(C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H28N2O2/c26-22-13-16-25(23(27)20-9-5-2-6-10-20)17-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2/t21-,22-/m1/s1
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n/an/a 34n/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))
BDBM50018078
PNG
(2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...)
Show SMILES OC1CCCCC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2
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n/an/a 40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018078
PNG
(2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...)
Show SMILES OC1CCCCC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2
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n/an/a 40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018117
PNG
(2-(4-Cyclohexyl-piperidin-1-yl)-cyclohexanol | CHE...)
Show SMILES OC1CCCCC1N1CCC(CC1)C1CCCCC1
Show InChI InChI=1S/C17H31NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h14-17,19H,1-13H2
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n/an/a 40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183823
PNG
(1-(3-bromobenzyl)-3-(4-phenylpiperazin-1-yl)piperi...)
Show SMILES OC1CCN(Cc2cccc(Br)c2)CC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28BrN3O/c23-19-6-4-5-18(15-19)16-24-10-9-22(27)21(17-24)26-13-11-25(12-14-26)20-7-2-1-3-8-20/h1-8,15,21-22,27H,9-14,16-17H2
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n/an/a 46n/an/an/an/an/an/a



Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183817
PNG
(1-(2-bromobenzyl)-3-(4-phenylpiperazin-1-yl)piperi...)
Show SMILES OC1CCN(Cc2ccccc2Br)CC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28BrN3O/c23-20-9-5-4-6-18(20)16-24-11-10-22(27)21(17-24)26-14-12-25(13-15-26)19-7-2-1-3-8-19/h1-9,21-22,27H,10-17H2
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n/an/a 47n/an/an/an/an/an/a



Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018134
PNG
(CHEMBL20499 | N-[6-Hydroxy-7-(4-phenyl-piperidin-1...)
Show SMILES CC(=O)Nc1cccc2CC(O)C(Cc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-16(26)24-21-9-5-8-19-14-23(27)22(15-20(19)21)25-12-10-18(11-13-25)17-6-3-2-4-7-17/h2-9,18,22-23,27H,10-15H2,1H3,(H,24,26)
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018090
PNG
(CHEMBL20382 | N-[6-Hydroxy-7-(4-phenyl-piperidin-1...)
Show SMILES OC1Cc2cccc(NC(=O)CCC(O)=O)c2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-23-15-19-7-4-8-21(26-24(29)9-10-25(30)31)20(19)16-22(23)27-13-11-18(12-14-27)17-5-2-1-3-6-17/h1-8,18,22-23,28H,9-16H2,(H,26,29)(H,30,31)
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018148
PNG
(3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-nap...)
Show SMILES OC1Cc2ccccc2CC1N1CCC(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
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018127
PNG
(1-[1-(2-Hydroxy-cyclohexyl)-4-phenyl-piperidin-4-y...)
Show SMILES CCC(=O)C1(CCN(CC1)C1CCCCC1O)c1ccccc1
Show InChI InChI=1S/C20H29NO2/c1-2-19(23)20(16-8-4-3-5-9-16)12-14-21(15-13-20)17-10-6-7-11-18(17)22/h3-5,8-9,17-18,22H,2,6-7,10-15H2,1H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183813
PNG
(1-benzyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol ...)
Show SMILES OC1CN(Cc2ccccc2)CCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H29N3O/c26-22-18-23(17-19-7-3-1-4-8-19)12-11-21(22)25-15-13-24(14-16-25)20-9-5-2-6-10-20/h1-10,21-22,26H,11-18H2
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n/an/a 57n/an/an/an/an/an/a



Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183818
PNG
(1-(3-bromobenzyl)-4-(4-phenylpiperazin-1-yl)piperi...)
Show SMILES OC1CN(Cc2cccc(Br)c2)CCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28BrN3O/c23-19-6-4-5-18(15-19)16-24-10-9-21(22(27)17-24)26-13-11-25(12-14-26)20-7-2-1-3-8-20/h1-8,15,21-22,27H,9-14,16-17H2
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n/an/a 66n/an/an/an/an/an/a



Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018125
PNG
(2-[4-(3-Phenyl-propyl)-piperidin-1-yl]-cyclohexano...)
Show SMILES OC1CCCCC1N1CCC(CCCc2ccccc2)CC1
Show InChI InChI=1S/C20H31NO/c22-20-12-5-4-11-19(20)21-15-13-18(14-16-21)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,18-20,22H,4-6,9-16H2
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n/an/a 70n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018098
PNG
(5-tert-Butyl-2-(4-phenyl-piperidin-1-yl)-cyclohexa...)
Show SMILES CC(C)(C)[C@H]1CC[C@H]([C@H](O)C1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H33NO/c1-21(2,3)18-9-10-19(20(23)15-18)22-13-11-17(12-14-22)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3/t18-,19+,20+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183809
PNG
(1-allyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol |...)
Show SMILES OC1CN(CC=C)CCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H27N3O/c1-2-9-19-10-8-17(18(22)15-19)21-13-11-20(12-14-21)16-6-4-3-5-7-16/h2-7,17-18,22H,1,8-15H2
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n/an/a>100n/an/an/an/an/an/a



Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183821
PNG
(1-allyl-3-(4-phenylpiperazin-1-yl)piperidin-4-ol |...)
Show SMILES OC1CCN(CC=C)CC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H27N3O/c1-2-9-19-10-8-18(22)17(15-19)21-13-11-20(12-14-21)16-6-4-3-5-7-16/h2-7,17-18,22H,1,8-15H2
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n/an/a>100n/an/an/an/an/an/a



Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183816
PNG
(3-(4-phenylpiperazin-1-yl)piperidin-4-ol | CHEMBL2...)
Show SMILES OC1CCNCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C15H23N3O/c19-15-6-7-16-12-14(15)18-10-8-17(9-11-18)13-4-2-1-3-5-13/h1-5,14-16,19H,6-12H2
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n/an/a>100n/an/an/an/an/an/a



Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183827
PNG
((E)-1-(3-iodoallyl)-3-(4-phenylpiperazin-1-yl)pipe...)
Show SMILES OC1CCN(C\C=C\I)CC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H26IN3O/c19-8-4-9-20-10-7-18(23)17(15-20)22-13-11-21(12-14-22)16-5-2-1-3-6-16/h1-6,8,17-18,23H,7,9-15H2/b8-4+
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183826
PNG
((E)-1-(but-2-enyl)-4-(4-phenylpiperazin-1-yl)piper...)
Show SMILES C\C=C\CN1CCC(C(O)C1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H29N3O/c1-2-3-10-20-11-9-18(19(23)16-20)22-14-12-21(13-15-22)17-7-5-4-6-8-17/h2-8,18-19,23H,9-16H2,1H3/b3-2+
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183810
PNG
(1-benzyl-3-(4-phenylpiperazin-1-yl)piperidin-4-ol ...)
Show SMILES OC1CCN(Cc2ccccc2)CC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H29N3O/c26-22-11-12-23(17-19-7-3-1-4-8-19)18-21(22)25-15-13-24(14-16-25)20-9-5-2-6-10-20/h1-10,21-22,26H,11-18H2
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183825
PNG
((E)-1-(3-iodoallyl)-4-(4-phenylpiperazin-1-yl)pipe...)
Show SMILES OC1CN(C\C=C\I)CCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H26IN3O/c19-8-4-9-20-10-7-17(18(23)15-20)22-13-11-21(12-14-22)16-5-2-1-3-6-16/h1-6,8,17-18,23H,7,9-15H2/b8-4+
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183828
PNG
(4-(4-phenylpiperazin-1-yl)piperidin-3-ol | CHEMBL3...)
Show SMILES OC1CNCCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C15H23N3O/c19-15-12-16-7-6-14(15)18-10-8-17(9-11-18)13-4-2-1-3-5-13/h1-5,14-16,19H,6-12H2
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183820
PNG
((E)-1-(but-2-enyl)-3-(4-phenylpiperazin-1-yl)piper...)
Show SMILES C\C=C\CN1CCC(O)C(C1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H29N3O/c1-2-3-10-20-11-9-19(23)18(16-20)22-14-12-21(13-15-22)17-7-5-4-6-8-17/h2-8,18-19,23H,9-16H2,1H3/b3-2+
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183814
PNG
(3-(4-phenylpiperazin-1-yl)-1-(prop-2-ynyl)piperidi...)
Show SMILES OC1CCN(CC#C)CC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H25N3O/c1-2-9-19-10-8-18(22)17(15-19)21-13-11-20(12-14-21)16-6-4-3-5-7-16/h1,3-7,17-18,22H,8-15H2
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183829
PNG
(1-(4-bromobenzyl)-4-(4-phenylpiperazin-1-yl)piperi...)
Show SMILES OC1CN(Cc2ccc(Br)cc2)CCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28BrN3O/c23-19-8-6-18(7-9-19)16-24-11-10-21(22(27)17-24)26-14-12-25(13-15-26)20-4-2-1-3-5-20/h1-9,21-22,27H,10-17H2
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183819
PNG
(1-(2-methylallyl)-3-(4-phenylpiperazin-1-yl)piperi...)
Show SMILES CC(=C)CN1CCC(O)C(C1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H29N3O/c1-16(2)14-20-9-8-19(23)18(15-20)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h3-7,18-19,23H,1,8-15H2,2H3
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183812
PNG
(1-(4-bromobenzyl)-3-(4-phenylpiperazin-1-yl)piperi...)
Show SMILES OC1CCN(Cc2ccc(Br)cc2)CC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28BrN3O/c23-19-8-6-18(7-9-19)16-24-11-10-22(27)21(17-24)26-14-12-25(13-15-26)20-4-2-1-3-5-20/h1-9,21-22,27H,10-17H2
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50183822
PNG
(1-(2-methylallyl)-4-(4-phenylpiperazin-1-yl)piperi...)
Show SMILES CC(=C)CN1CCC(C(O)C1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H29N3O/c1-16(2)14-20-9-8-18(19(23)15-20)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h3-7,18-19,23H,1,8-15H2,2H3
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Université François-Rabelais de Tours

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line


Bioorg Med Chem Lett 16: 2654-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.033
BindingDB Entry DOI: 10.7270/Q29886K9
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018072
PNG
(3-(4-Phenyl-piperidin-1-yl)-cyclohexane-1,2-diol |...)
Show SMILES O[C@@H]1CCC[C@H]([C@@H]1O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C17H25NO2/c19-16-8-4-7-15(17(16)20)18-11-9-14(10-12-18)13-5-2-1-3-6-13/h1-3,5-6,14-17,19-20H,4,7-12H2/t15-,16-,17+/m1/s1
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018129
PNG
(3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,2,3,4-t...)
Show SMILES OC1Cc2ccccc2CC1N1CCC(=CC1)c1ccccc1 |c:16|
Show InChI InChI=1S/C21H23NO/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/h1-10,20-21,23H,11-15H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018135
PNG
(2-[4-(4-Nitro-phenyl)-piperidin-1-yl]-cyclohexanol...)
Show SMILES OC1CCCCC1N1CCC(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H24N2O3/c20-17-4-2-1-3-16(17)18-11-9-14(10-12-18)13-5-7-15(8-6-13)19(21)22/h5-8,14,16-17,20H,1-4,9-12H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018146
PNG
(2-(4-o-Tolyl-piperazin-1-yl)-cyclohexanol | CHEMBL...)
Show SMILES Cc1ccccc1N1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C17H26N2O/c1-14-6-2-3-7-15(14)18-10-12-19(13-11-18)16-8-4-5-9-17(16)20/h2-3,6-7,16-17,20H,4-5,8-13H2,1H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018115
PNG
(2-[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-cyclohe...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C18H28N2O/c1-14-7-8-15(2)17(13-14)20-11-9-19(10-12-20)16-5-3-4-6-18(16)21/h7-8,13,16,18,21H,3-6,9-12H2,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018079
PNG
(5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrah...)
Show SMILES Nc1cccc2CC(O)C(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
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018110
PNG
(2-[4-(4-Chloro-phenyl)-piperidin-1-yl]-cyclohexano...)
Show SMILES OC1CCCCC1N1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018080
PNG
(5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pen...)
Show SMILES OC1Cc2cccc(NC(=O)CCCCC3SCC4NC(=O)NC34)c2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C31H40N4O3S/c36-27-17-22-9-6-10-24(32-29(37)12-5-4-11-28-30-25(19-39-28)33-31(38)34-30)23(22)18-26(27)35-15-13-21(14-16-35)20-7-2-1-3-8-20/h1-3,6-10,21,25-28,30,36H,4-5,11-19H2,(H,32,37)(H2,33,34,38)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018091
PNG
(2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-cyclohexa...)
Show SMILES OC1CCCCC1N1CCC(=CC1)c1ccccc1 |c:11|
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/h1-3,6-7,10,16-17,19H,4-5,8-9,11-13H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018071
PNG
(5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pen...)
Show SMILES OC1Cc2cccc(NC(=O)CNC(=O)CNC(=O)CCCCC3SCC4NC(=O)NC34)c2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C35H46N6O5S/c42-29-17-24-9-6-10-26(25(24)18-28(29)41-15-13-23(14-16-41)22-7-2-1-3-8-22)38-33(45)20-37-32(44)19-36-31(43)12-5-4-11-30-34-27(21-47-30)39-35(46)40-34/h1-3,6-10,23,27-30,34,42H,4-5,11-21H2,(H,36,43)(H,37,44)(H,38,45)(H2,39,40,46)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018132
PNG
(2-(4-{3-[1-(2-hydroxycyclohexyl)hexahydro-4-pyridi...)
Show SMILES OC1CCCCC1N1CCC(CCCC2CCN(CC2)C2CCCCC2O)CC1
Show InChI InChI=1S/C25H46N2O2/c28-24-10-3-1-8-22(24)26-16-12-20(13-17-26)6-5-7-21-14-18-27(19-15-21)23-9-2-4-11-25(23)29/h20-25,28-29H,1-19H2
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n/an/a 200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018076
PNG
(2-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES OC1CCCCC1N1CCC(=CC1)c1ccc(Cl)cc1 |c:11|
Show InChI InChI=1S/C17H22ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-9,16-17,20H,1-4,10-12H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018147
PNG
(CHEMBL20429 | N-{4-[1-(2-Hydroxy-cyclohexyl)-piper...)
Show SMILES OC1CCCCC1N1CCC(CC1)C1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C22H40N2O2/c25-21-7-3-1-5-19(21)23-13-9-17(10-14-23)18-11-15-24(16-12-18)20-6-2-4-8-22(20)26/h17-22,25-26H,1-16H2
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n/an/a 200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018092
PNG
(1-(2-Hydroxy-cyclohexyl)-4-phenyl-piperidin-3-ol |...)
Show SMILES OC1CCCCC1N1CCC(C(O)C1)c1ccccc1
Show InChI InChI=1S/C17H25NO2/c19-16-9-5-4-8-15(16)18-11-10-14(17(20)12-18)13-6-2-1-3-7-13/h1-3,6-7,14-17,19-20H,4-5,8-12H2
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n/an/a 200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018085
PNG
((+/-)-trans-2-hydroxy-3-(4-(2-methoxyphenyl)1-pipe...)
Show SMILES COc1ccccc1N1CCN(CC1)C1CC2CCCCC2CC1O
Show InChI InChI=1S/C21H32N2O2/c1-25-21-9-5-4-8-18(21)22-10-12-23(13-11-22)19-14-16-6-2-3-7-17(16)15-20(19)24/h4-5,8-9,16-17,19-20,24H,2-3,6-7,10-15H2,1H3
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n/an/a 300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018104
PNG
(2-[4-(4-Dimethylamino-phenyl)-piperidin-1-yl]-cycl...)
Show SMILES CN(C)c1ccc(cc1)C1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C19H30N2O/c1-20(2)17-9-7-15(8-10-17)16-11-13-21(14-12-16)18-5-3-4-6-19(18)22/h7-10,16,18-19,22H,3-6,11-14H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018082
PNG
(2-(4-Phenyl-piperazin-1-yl)-cyclohexanol | CHEMBL2...)
Show SMILES OC1CCCCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c19-16-9-5-4-8-15(16)18-12-10-17(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2
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n/an/a 300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
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