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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'akella' and Initial = 'sk'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039623
PNG
((2R,3R)-5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,...)
Show SMILES Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20-,21-/m1/s1
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0.00650n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039622
PNG
((3'R,4'R)-1'-(4-Iodo-benzyl)-4-phenyl-[1,3']bipipe...)
Show SMILES O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H29IN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039613
PNG
((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1
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0.0550n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039604
PNG
((+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidi...)
Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1
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0.0630n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039610
PNG
(3-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C23H25NO/c25-22-16-19-7-2-1-6-18(19)15-21(22)24-13-11-23(12-14-24)10-9-17-5-3-4-8-20(17)23/h1-10,21-22,25H,11-16H2/t21-,22-/m1/s1
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0.121n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039628
PNG
((3'R,4'R)-1'-(2-Iodo-benzyl)-4-phenyl-[1,3']bipipe...)
Show SMILES O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H29IN2O/c24-21-9-5-4-8-20(21)16-25-13-12-23(27)22(17-25)26-14-10-19(11-15-26)18-6-2-1-3-7-18/h1-9,19,22-23,27H,10-17H2/t22-,23-/m1/s1
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0.147n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039605
PNG
((2R,3R)-3-{4-bromospiro[indene-1,4'-piperidine]-1'...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1c2cccc1Br
Show InChI InChI=1S/C23H24BrNO/c24-20-7-3-6-19-18(20)8-9-23(19)10-12-25(13-11-23)21-14-16-4-1-2-5-17(16)15-22(21)26/h1-9,21-22,26H,10-15H2/t21-,22-/m1/s1
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0.212n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039616
PNG
(1-(4-fluorobenzyl)-3-spiro[1H-indene-1,4'-(hexahyd...)
Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C25H29FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-9,11,23-24,29H,10,12-18H2/t23-,24-/m1/s1
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0.248n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039627
PNG
(1-(3-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydro...)
Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C25H29IN2O/c26-21-6-3-4-19(16-21)17-27-13-9-24(29)23(18-27)28-14-11-25(12-15-28)10-8-20-5-1-2-7-22(20)25/h1-8,10,16,23-24,29H,9,11-15,17-18H2/t23-,24-/m1/s1
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0.264n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039614
PNG
((2R,3R)-3-(5-bromo-1'H-spiro[indene-1,4'-piperidin...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1cc(Br)ccc21
Show InChI InChI=1S/C23H24BrNO/c24-19-5-6-20-18(13-19)7-8-23(20)9-11-25(12-10-23)21-14-16-3-1-2-4-17(16)15-22(21)26/h1-8,13,21-22,26H,9-12,14-15H2/t21-,22-/m1/s1
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0.271n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039617
PNG
(1-(4-fluorobenzyl)-3-spiro[2,3-dihydro-1H-indene-1...)
Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C25H31FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039621
PNG
(3-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyrid...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C23H27NO/c25-22-16-19-7-2-1-6-18(19)15-21(22)24-13-11-23(12-14-24)10-9-17-5-3-4-8-20(17)23/h1-8,21-22,25H,9-16H2/t21-,22-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039602
PNG
((2R,3R)-3-(2-bromo-1'H-spiro[indene-1,4'-piperidin...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C(Br)=Cc1ccccc21
Show InChI InChI=1S/C23H24BrNO/c24-22-15-18-7-3-4-8-19(18)23(22)9-11-25(12-10-23)20-13-16-5-1-2-6-17(16)14-21(20)26/h1-8,15,20-21,26H,9-14H2/t20-,21-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039620
PNG
(1-(4-iodobenzyl)-3-spiro[1,2,3,4-tetrahydronaphtha...)
Show SMILES O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H33IN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1
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0.638n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039609
PNG
(1-(3-iodobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4...)
Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C25H31IN2O/c26-21-6-3-4-19(16-21)17-27-13-9-24(29)23(18-27)28-14-11-25(12-15-28)10-8-20-5-1-2-7-22(20)25/h1-7,16,23-24,29H,8-15,17-18H2/t23-,24-/m1/s1
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0.660n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039611
PNG
(1-(4-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydro...)
Show SMILES O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C25H29IN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-9,11,23-24,29H,10,12-18H2/t23-,24-/m1/s1
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0.762n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


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



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


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



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039619
PNG
(1-(3-iodobenzyl)-3-spiro[1,2,3,4-tetrahydronaphtha...)
Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H33IN2O/c27-22-8-3-5-20(17-22)18-28-14-10-25(30)24(19-28)29-15-12-26(13-16-29)11-4-7-21-6-1-2-9-23(21)26/h1-3,5-6,8-9,17,24-25,30H,4,7,10-16,18-19H2/t24-,25-/m1/s1
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0.856n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039625
PNG
(1-(2-iodobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4...)
Show SMILES O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C25H31IN2O/c26-22-8-4-2-6-20(22)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-19-5-1-3-7-21(19)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1
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0.980n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
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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1n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039626
PNG
((2R,3R)-3-(6-bromo-1'H-spiro[indene-1,4'-piperidin...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1ccc(Br)cc21
Show InChI InChI=1S/C23H24BrNO/c24-19-6-5-16-7-8-23(20(16)15-19)9-11-25(12-10-23)21-13-17-3-1-2-4-18(17)14-22(21)26/h1-8,15,21-22,26H,9-14H2/t21-,22-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039606
PNG
(1-(4-fluorobenzyl)-3-spiro[1,2,3,4-tetrahydronapht...)
Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H33FN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039608
PNG
(1-(2-iodobenzyl)-3-spiro[1,2,3,4-tetrahydronaphtha...)
Show SMILES O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1N1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H33IN2O/c27-23-10-4-2-7-21(23)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-5-8-20-6-1-3-9-22(20)26/h1-4,6-7,9-10,24-25,30H,5,8,11-19H2/t24-,25-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039615
PNG
(2-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(...)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C19H25NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,9-10,17-18,21H,3-4,7-8,11-14H2/t17-,18-/m1/s1
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6.93n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039618
PNG
((1R,2R)-2-(2,3-dihydro-1'H-spiro[indene-1,4'-piper...)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C19H27NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,17-18,21H,3-4,7-14H2/t17-,18-/m1/s1
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7.59n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039603
PNG
(3-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahy...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C24H29NO/c26-23-17-20-8-2-1-7-19(20)16-22(23)25-14-12-24(13-15-25)11-5-9-18-6-3-4-10-21(18)24/h1-4,6-8,10,22-23,26H,5,9,11-17H2/t22-,23-/m1/s1
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18.4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039612
PNG
((1R,2R)-2-{3,4-dihydro-2H-spiro[naphthalene-1,4'-p...)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C20H29NO/c22-19-10-4-3-9-18(19)21-14-12-20(13-15-21)11-5-7-16-6-1-2-8-17(16)20/h1-2,6,8,18-19,22H,3-5,7,9-15H2/t18-,19-/m1/s1
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24.3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


Article DOI: 10.1021/jm00042a010
BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair