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PubMed code 16516472

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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


(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))		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))		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))		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))		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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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))		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))		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))		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))		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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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))		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))		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))		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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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))		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))		BDBM50183815
PNG
(1-ethyl-3-(4-phenylpiperazin-1-yl)piperidin-4-ol |...)
Show SMILES CCN1CCC(O)C(C1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C17H27N3O/c1-2-18-9-8-17(21)16(14-18)20-12-10-19(11-13-20)15-6-4-3-5-7-15/h3-7,16-17,21H,2,8-14H2,1H3
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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))		BDBM50183830
PNG
(4-(4-phenylpiperazin-1-yl)-1-(prop-2-ynyl)piperidi...)
Show SMILES OC1CN(CC#C)CCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H25N3O/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/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))		BDBM50183811
PNG
(1-ethyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol |...)
Show SMILES CCN1CCC(C(O)C1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C17H27N3O/c1-2-18-9-8-16(17(21)14-18)20-12-10-19(11-13-20)15-6-4-3-5-7-15/h3-7,16-17,21H,2,8-14H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/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
* indicates data uncertainty>20%