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Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50047573   
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
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175681
PNG
(CHEMBL3809963)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccccc2OC)CC1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-9-5-3-7-20(22)12-11-19-13-16-24(17-14-19)18-15-21-8-4-6-10-23(21)26-2;/h3-10,19H,11-18H2,1-2H3;1H
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9.30n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175683
PNG
(CHEMBL3808467)
Show SMILES Cl.COc1cccc(CCN2CCC(CCc3ccccc3OC)CC2)c1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-8-5-6-20(18-22)14-17-24-15-12-19(13-16-24)10-11-21-7-3-4-9-23(21)26-2;/h3-9,18-19H,10-17H2,1-2H3;1H
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13n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175859
PNG
(CHEMBL3809825)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28FNO.ClH/c1-25-22-5-3-2-4-20(22)9-6-19-13-16-24(17-14-19)15-12-18-7-10-21(23)11-8-18;/h2-5,7-8,10-11,19H,6,9,12-17H2,1H3;1H
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13n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175779
PNG
(CHEMBL3810014)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H28ClNO.ClH/c1-25-22-9-5-3-7-20(22)11-10-18-12-15-24(16-13-18)17-14-19-6-2-4-8-21(19)23;/h2-9,18H,10-17H2,1H3;1H
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20n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175682
PNG
(CHEMBL3810004)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-10-6-5-9-21(22)12-11-20-14-17-23(18-15-20)16-13-19-7-3-2-4-8-19;/h2-10,20H,11-18H2,1H3;1H
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22n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175677
PNG
(CHEMBL3809594)
Show SMILES Cl.COc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-9-5-8-21(18-22)14-17-23-15-12-20(13-16-23)11-10-19-6-3-2-4-7-19;/h2-9,18,20H,10-17H2,1H3;1H
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22n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175675
PNG
(CHEMBL3808752)
Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-10-6-5-9-21(22)15-18-23-16-13-20(14-17-23)12-11-19-7-3-2-4-8-19;/h2-10,20H,11-18H2,1H3;1H
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30n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175680
PNG
(CHEMBL3809460)
Show SMILES Cl.Fc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H26FN.ClH/c22-21-10-8-19(9-11-21)12-15-23-16-13-20(14-17-23)7-6-18-4-2-1-3-5-18;/h1-5,8-11,20H,6-7,12-17H2;1H
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32n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175867
PNG
(CHEMBL3808567)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3ccccc3OC)CC2)c1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-8-5-6-20(18-22)11-10-19-12-15-24(16-13-19)17-14-21-7-3-4-9-23(21)26-2;/h3-9,18-19H,10-17H2,1-2H3;1H
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40n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176137
PNG
(CHEMBL3809258)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C22H28ClNO.ClH/c1-25-21-10-8-18(9-11-21)6-7-19-12-15-24(16-13-19)17-14-20-4-2-3-5-22(20)23;/h2-5,8-11,19H,6-7,12-17H2,1H3;1H
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40n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175684
PNG
(CHEMBL3810149)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3ccccc3OC)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-11-8-19(9-12-22)13-16-24-17-14-20(15-18-24)7-10-21-5-3-4-6-23(21)26-2;/h3-6,8-9,11-12,20H,7,10,13-18H2,1-2H3;1H
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43n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175678
PNG
(CHEMBL3809883)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-11-9-20(10-12-22)13-16-23-17-14-21(15-18-23)8-7-19-5-3-2-4-6-19;/h2-6,9-12,21H,7-8,13-18H2,1H3;1H
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46n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175679
PNG
(CHEMBL3808559)
Show SMILES Cl.Clc1ccccc1CCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H26ClN.ClH/c22-21-9-5-4-8-20(21)14-17-23-15-12-19(13-16-23)11-10-18-6-2-1-3-7-18;/h1-9,19H,10-17H2;1H
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47n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175676
PNG
(CHEMBL3810120)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-11-10-21(18-23(22)26-2)14-17-24-15-12-20(13-16-24)9-8-19-6-4-3-5-7-19;/h3-7,10-11,18,20H,8-9,12-17H2,1-2H3;1H
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56n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175866
PNG
(CHEMBL3809534)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-9-5-8-21(18-22)11-10-20-13-16-23(17-14-20)15-12-19-6-3-2-4-7-19;/h2-9,18,20H,10-17H2,1H3;1H
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56n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175629
PNG
(CHEMBL3810390)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C22H28FNO.ClH/c1-25-22-10-6-18(7-11-22)2-3-20-13-16-24(17-14-20)15-12-19-4-8-21(23)9-5-19;/h4-11,20H,2-3,12-17H2,1H3;1H
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60n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176067
PNG
(CHEMBL3809748)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C22H28FNO.ClH/c1-25-22-4-2-3-20(17-22)6-5-19-12-15-24(16-13-19)14-11-18-7-9-21(23)10-8-18;/h2-4,7-10,17,19H,5-6,11-16H2,1H3;1H
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69n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176135
PNG
(CHEMBL3809581)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3cccc(OC)c3)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-10-8-19(9-11-22)6-7-20-12-15-24(16-13-20)17-14-21-4-3-5-23(18-21)26-2;/h3-5,8-11,18,20H,6-7,12-17H2,1-2H3;1H
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75n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175631
PNG
(CHEMBL3809801)
Show SMILES Cl.COc1cccc(CCN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H27NO.ClH/c1-23-21-9-5-8-19(17-21)10-13-22-14-11-20(12-15-22)16-18-6-3-2-4-7-18;/h2-9,17,20H,10-16H2,1H3;1H
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77n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176085
PNG
(CHEMBL3809878)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccccc3OC)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-11-9-19(10-12-22)7-8-20-13-16-24(17-14-20)18-15-21-5-3-4-6-23(21)26-2;/h3-6,9-12,20H,7-8,13-18H2,1-2H3;1H
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83n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176053
PNG
(CHEMBL3809513)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3cccc(OC)c3)CC2)c1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-7-3-5-20(17-22)10-9-19-11-14-24(15-12-19)16-13-21-6-4-8-23(18-21)26-2;/h3-8,17-19H,9-16H2,1-2H3;1H
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85n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176072
PNG
(CHEMBL3809090)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-11-9-20(10-12-22)7-8-21-14-17-23(18-15-21)16-13-19-5-3-2-4-6-19;/h2-6,9-12,21H,7-8,13-18H2,1H3;1H
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110n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175674
PNG
(CHEMBL3810230)
Show SMILES Cl.C(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H27N.ClH/c1-3-7-19(8-4-1)11-12-21-14-17-22(18-15-21)16-13-20-9-5-2-6-10-20;/h1-10,21H,11-18H2;1H
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120n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175630
PNG
(CHEMBL3809660)
Show SMILES Cl.COc1ccccc1CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO.ClH/c1-23-21-10-6-5-9-20(21)13-16-22-14-11-19(12-15-22)17-18-7-3-2-4-8-18;/h2-10,19H,11-17H2,1H3;1H
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130n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176064
PNG
(CHEMBL3808912)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3cccc(OC)c3)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-10-8-19(9-11-22)12-15-24-16-13-20(14-17-24)6-7-21-4-3-5-23(18-21)26-2;/h3-5,8-11,18,20H,6-7,12-17H2,1-2H3;1H
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130n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175683
PNG
(CHEMBL3808467)
Show SMILES Cl.COc1cccc(CCN2CCC(CCc3ccccc3OC)CC2)c1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-8-5-6-20(18-22)14-17-24-15-12-19(13-16-24)10-11-21-7-3-4-9-23(21)26-2;/h3-9,18-19H,10-17H2,1-2H3;1H
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150n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176136
PNG
(CHEMBL3810332)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccc(OC)cc3)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-9-5-19(6-10-22)3-4-21-14-17-24(18-15-21)16-13-20-7-11-23(26-2)12-8-20;/h5-12,21H,3-4,13-18H2,1-2H3;1H
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160n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175633
PNG
(CHEMBL3809875)
Show SMILES Cl.COc1ccc(CCN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H27NO.ClH/c1-23-21-9-7-18(8-10-21)11-14-22-15-12-20(13-16-22)17-19-5-3-2-4-6-19;/h2-10,20H,11-17H2,1H3;1H
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180n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175779
PNG
(CHEMBL3810014)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H28ClNO.ClH/c1-25-22-9-5-3-7-20(22)11-10-18-12-15-24(16-13-18)17-14-19-6-2-4-8-21(19)23;/h2-9,18H,10-17H2,1H3;1H
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190n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175681
PNG
(CHEMBL3809963)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccccc2OC)CC1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-9-5-3-7-20(22)12-11-19-13-16-24(17-14-19)18-15-21-8-4-6-10-23(21)26-2;/h3-10,19H,11-18H2,1-2H3;1H
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190n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176135
PNG
(CHEMBL3809581)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3cccc(OC)c3)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-10-8-19(9-11-22)6-7-20-12-15-24(16-13-20)17-14-21-4-3-5-23(18-21)26-2;/h3-5,8-11,18,20H,6-7,12-17H2,1-2H3;1H
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230n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176053
PNG
(CHEMBL3809513)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3cccc(OC)c3)CC2)c1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-7-3-5-20(17-22)10-9-19-11-14-24(15-12-19)16-13-21-6-4-8-23(18-21)26-2;/h3-8,17-19H,9-16H2,1-2H3;1H
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230n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176137
PNG
(CHEMBL3809258)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C22H28ClNO.ClH/c1-25-21-10-8-18(9-11-21)6-7-19-12-15-24(16-13-19)17-14-20-4-2-3-5-22(20)23;/h2-5,8-11,19H,6-7,12-17H2,1H3;1H
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230n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175632
PNG
(CHEMBL3809073)
Show SMILES Cl.COc1ccc(CCN2CCC(Cc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C22H29NO2.ClH/c1-24-21-9-8-19(17-22(21)25-2)10-13-23-14-11-20(12-15-23)16-18-6-4-3-5-7-18;/h3-9,17,20H,10-16H2,1-2H3;1H
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240n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175675
PNG
(CHEMBL3808752)
Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-10-6-5-9-21(22)15-18-23-16-13-20(14-17-23)12-11-19-7-3-2-4-8-19;/h2-10,20H,11-18H2,1H3;1H
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260n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175677
PNG
(CHEMBL3809594)
Show SMILES Cl.COc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-9-5-8-21(18-22)14-17-23-15-12-20(13-16-23)11-10-19-6-3-2-4-7-19;/h2-9,18,20H,10-17H2,1H3;1H
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270n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175866
PNG
(CHEMBL3809534)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-9-5-8-21(18-22)11-10-20-13-16-23(17-14-20)15-12-19-6-3-2-4-7-19;/h2-9,18,20H,10-17H2,1H3;1H
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320n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175867
PNG
(CHEMBL3808567)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3ccccc3OC)CC2)c1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-8-5-6-20(18-22)11-10-19-12-15-24(16-13-19)17-14-21-7-3-4-9-23(21)26-2;/h3-9,18-19H,10-17H2,1-2H3;1H
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320n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175679
PNG
(CHEMBL3808559)
Show SMILES Cl.Clc1ccccc1CCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H26ClN.ClH/c22-21-9-5-4-8-20(21)14-17-23-15-12-19(13-16-23)11-10-18-6-2-1-3-7-18;/h1-9,19H,10-17H2;1H
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380n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175859
PNG
(CHEMBL3809825)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28FNO.ClH/c1-25-22-5-3-2-4-20(22)9-6-19-13-16-24(17-14-19)15-12-18-7-10-21(23)11-8-18;/h2-5,7-8,10-11,19H,6,9,12-17H2,1H3;1H
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400n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176066
PNG
(CHEMBL3809433)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3ccccc3Cl)CC2)c1
Show InChI InChI=1S/C22H28ClNO.ClH/c1-25-21-7-4-5-19(17-21)10-9-18-11-14-24(15-12-18)16-13-20-6-2-3-8-22(20)23;/h2-8,17-18H,9-16H2,1H3;1H
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420n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176085
PNG
(CHEMBL3809878)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccccc3OC)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-11-9-19(10-12-22)7-8-20-13-16-24(17-14-20)18-15-21-5-3-4-6-23(21)26-2;/h3-6,9-12,20H,7-8,13-18H2,1-2H3;1H
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420n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176064
PNG
(CHEMBL3808912)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3cccc(OC)c3)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-10-8-19(9-11-22)12-15-24-16-13-20(14-17-24)6-7-21-4-3-5-23(18-21)26-2;/h3-5,8-11,18,20H,6-7,12-17H2,1-2H3;1H
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450n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176066
PNG
(CHEMBL3809433)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3ccccc3Cl)CC2)c1
Show InChI InChI=1S/C22H28ClNO.ClH/c1-25-21-7-4-5-19(17-21)10-9-18-11-14-24(15-12-18)16-13-20-6-2-3-8-22(20)23;/h2-8,17-18H,9-16H2,1H3;1H
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460n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175629
PNG
(CHEMBL3810390)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C22H28FNO.ClH/c1-25-22-10-6-18(7-11-22)2-3-20-13-16-24(17-14-20)15-12-19-4-8-21(23)9-5-19;/h4-11,20H,2-3,12-17H2,1H3;1H
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470n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175684
PNG
(CHEMBL3810149)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3ccccc3OC)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-11-8-19(9-12-22)13-16-24-17-14-20(15-18-24)7-10-21-5-3-4-6-23(21)26-2;/h3-6,8-9,11-12,20H,7,10,13-18H2,1-2H3;1H
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500n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176072
PNG
(CHEMBL3809090)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-11-9-20(10-12-22)7-8-21-14-17-23(18-15-21)16-13-19-5-3-2-4-6-19;/h2-6,9-12,21H,7-8,13-18H2,1H3;1H
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510n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175682
PNG
(CHEMBL3810004)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H29NO.ClH/c1-24-22-10-6-5-9-21(22)12-11-20-14-17-23(18-15-20)16-13-19-7-3-2-4-8-19;/h2-10,20H,11-18H2,1H3;1H
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690n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176067
PNG
(CHEMBL3809748)
Show SMILES Cl.COc1cccc(CCC2CCN(CCc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C22H28FNO.ClH/c1-25-22-4-2-3-20(17-22)6-5-19-12-15-24(16-13-19)14-11-18-7-9-21(23)10-8-18;/h2-4,7-10,17,19H,5-6,11-16H2,1H3;1H
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960n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175631
PNG
(CHEMBL3809801)
Show SMILES Cl.COc1cccc(CCN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H27NO.ClH/c1-23-21-9-5-8-19(17-21)10-13-22-14-11-20(12-15-22)16-18-6-3-2-4-7-18;/h2-9,17,20H,10-16H2,1H3;1H
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1.50E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
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