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PubMed code 1875353

Compile data set for download or QSAR
Found 12 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


(Torpedo californica)
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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PubMed
n/an/a 34n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009595
PNG
(1-(4-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-pro...)
Show SMILES OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H24BrNO/c21-19-8-6-16(7-9-19)14-20(23)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2
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PubMed
n/an/a 36n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009603
PNG
(1-(3-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-pro...)
Show SMILES OC(CN1CCC(CC1)c1ccccc1)Cc1cccc(Br)c1
Show InChI InChI=1S/C20H24BrNO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2
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PubMed
n/an/a 73n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009597
PNG
(1-(3-Iodo-phenyl)-3-(4-phenyl-piperidin-1-yl)-prop...)
Show SMILES OC(CN1CCC(CC1)c1ccccc1)Cc1cccc(I)c1
Show InChI InChI=1S/C20H24INO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2
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n/an/a 73n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009604
PNG
(1-(3-Methoxy-phenyl)-3-(4-phenyl-piperidin-1-yl)-p...)
Show SMILES COc1cccc(CC(O)CN2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C21H27NO2/c1-24-21-9-5-6-17(15-21)14-20(23)16-22-12-10-19(11-13-22)18-7-3-2-4-8-18/h2-9,15,19-20,23H,10-14,16H2,1H3
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n/an/a 115n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009600
PNG
(1-Naphthalen-2-yl-3-(4-phenyl-piperidin-1-yl)-prop...)
Show SMILES OC(CN1CCC(CC1)c1ccccc1)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C24H27NO/c26-24(17-19-10-11-21-8-4-5-9-23(21)16-19)18-25-14-12-22(13-15-25)20-6-2-1-3-7-20/h1-11,16,22,24,26H,12-15,17-18H2
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PubMed
n/an/a 145n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009595
PNG
(1-(4-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-pro...)
Show SMILES OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H24BrNO/c21-19-8-6-16(7-9-19)14-20(23)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2
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PubMed
n/an/a 170n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009599
PNG
(4-[2-Hydroxy-3-(4-phenyl-piperidin-1-yl)-propyl]-p...)
Show SMILES OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C20H25NO2/c22-19-8-6-16(7-9-19)14-20(23)15-21-12-10-18(11-13-21)17-4-2-1-3-5-17/h1-9,18,20,22-23H,10-15H2
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PubMed
n/an/a 220n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009598
PNG
(3-[2-Hydroxy-3-(4-phenyl-piperidin-1-yl)-propyl]-p...)
Show SMILES OC(CN1CCC(CC1)c1ccccc1)Cc1cccc(O)c1
Show InChI InChI=1S/C20H25NO2/c22-19-8-4-5-16(13-19)14-20(23)15-21-11-9-18(10-12-21)17-6-2-1-3-7-17/h1-8,13,18,20,22-23H,9-12,14-15H2
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PubMed
n/an/a 520n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009601
PNG
(1-(3-Bromo-phenyl)-3-(4-phenyl-piperazin-1-yl)-pro...)
Show SMILES OC(CN1CCN(CC1)c1ccccc1)Cc1cccc(Br)c1
Show InChI InChI=1S/C19H23BrN2O/c20-17-6-4-5-16(13-17)14-19(23)15-21-9-11-22(12-10-21)18-7-2-1-3-8-18/h1-8,13,19,23H,9-12,14-15H2
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PubMed
n/an/a 990n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009596
PNG
(1-Naphthalen-1-yl-3-(4-phenyl-piperidin-1-yl)-prop...)
Show SMILES OC(CN1CCC(CC1)c1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C24H27NO/c26-23(17-22-11-6-10-21-9-4-5-12-24(21)22)18-25-15-13-20(14-16-25)19-7-2-1-3-8-19/h1-12,20,23,26H,13-18H2
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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50009594
PNG
(1-(4-Bromo-phenyl)-3-(4-phenyl-piperazin-1-yl)-pro...)
Show SMILES OC(CN1CCN(CC1)c1ccccc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C19H23BrN2O/c20-17-8-6-16(7-9-17)14-19(23)15-21-10-12-22(13-11-21)18-4-2-1-3-5-18/h1-9,19,23H,10-15H2
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PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]-Vesamicol from Vesamicol receptor of Torpedo californica


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%