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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'culver' and Initial = 'jp'   
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))
BDBM50496673
PNG
(CHEMBL3133793)
Show SMILES FC(F)Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC(F)F)cc3)N2)cc1 |r|
Show InChI InChI=1S/C23H27F4NO2/c24-22(25)29-20-12-6-16(7-13-20)4-10-18-2-1-3-19(28-18)11-5-17-8-14-21(15-9-17)30-23(26)27/h6-9,12-15,18-19,22-23,28H,1-5,10-11H2/t18-,19+
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23n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50433783
PNG
(CHEMBL2381721)
Show SMILES COc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 |r|
Show InChI InChI=1S/C26H37NO4/c1-30-25-14-8-20(9-15-25)6-12-22-4-3-5-23(27(22)18-24(29)19-28)13-7-21-10-16-26(31-2)17-11-21/h8-11,14-17,22-24,28-29H,3-7,12-13,18-19H2,1-2H3/t22-,23+,24-/m1/s1
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29n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
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))
BDBM50496681
PNG
(CHEMBL3133789)
Show SMILES OC[C@H](O)CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C32H37NO2/c34-23-30(35)22-33-28(20-18-26-12-5-10-24-8-1-3-16-31(24)26)14-7-15-29(33)21-19-27-13-6-11-25-9-2-4-17-32(25)27/h1-6,8-13,16-17,28-30,34-35H,7,14-15,18-23H2/t28-,29+,30-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
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))
BDBM50068442
PNG
(1,4-Bis-[2-(2-methoxy-phenyl)-ethyl]-piperazine | ...)
Show SMILES COc1ccccc1CCN1CCN(CCc2ccccc2OC)CC1
Show InChI InChI=1S/C22H30N2O2/c1-25-21-9-5-3-7-19(21)11-13-23-15-17-24(18-16-23)14-12-20-8-4-6-10-22(20)26-2/h3-10H,11-18H2,1-2H3
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35n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50534745
PNG
(CHEMBL4519939)
Show SMILES Cl.Cl.COc1ccccc1CCN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H28N2O/c1-24-21-10-6-5-9-20(21)12-14-23-17-15-22(16-18-23)13-11-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
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37n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50496675
PNG
(CHEMBL3133795)
Show SMILES COc1ccc(F)c(CC[C@H]2CCC[C@@H](CCc3cc(OC)ccc3F)N2)c1 |r|
Show InChI InChI=1S/C23H29F2NO2/c1-27-20-10-12-22(24)16(14-20)6-8-18-4-3-5-19(26-18)9-7-17-15-21(28-2)11-13-23(17)25/h10-15,18-19,26H,3-9H2,1-2H3/t18-,19+
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39n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
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))
BDBM50496680
PNG
(CHEMBL3133797)
Show SMILES Fc1cc(F)cc(CC[C@H]2CCC[C@@H](CCc3cc(F)cc(F)c3)N2)c1 |r|
Show InChI InChI=1S/C21H23F4N/c22-16-8-14(9-17(23)12-16)4-6-20-2-1-3-21(26-20)7-5-15-10-18(24)13-19(25)11-15/h8-13,20-21,26H,1-7H2/t20-,21+
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43n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50171953
PNG
((2R,6S)-2,6-Diphenethyl-piperidine | CHEMBL192329 ...)
Show SMILES C(Cc1ccccc1)[C@H]1CCC[C@@H](CCc2ccccc2)N1 |r|
Show InChI InChI=1S/C21H27N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2/t20-,21+
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44n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50080827
PNG
((2R,6S)-1-Methyl-2,6-diphenethyl-piperidine | (2S,...)
Show SMILES CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r|
Show InChI InChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+
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45n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
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))
BDBM50496665
PNG
(CHEMBL3133799)
Show SMILES COc1ccc(C[C@H]2CCC[C@@H](Cc3ccc(OC)cc3)N2)cc1 |r|
Show InChI InChI=1S/C21H27NO2/c1-23-20-10-6-16(7-11-20)14-18-4-3-5-19(22-18)15-17-8-12-21(24-2)13-9-17/h6-13,18-19,22H,3-5,14-15H2,1-2H3/t18-,19+
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48n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50534746
PNG
(CHEMBL4442303)
Show SMILES Cl.Cl.Clc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C20H24Cl2N2/c21-19-7-3-1-5-17(19)9-11-23-13-15-24(16-14-23)12-10-18-6-2-4-8-20(18)22/h1-8H,9-16H2
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48n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50496691
PNG
(CHEMBL3133697)
Show SMILES CN(C)N1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r|
Show InChI InChI=1S/C23H32N2/c1-24(2)25-22(18-16-20-10-5-3-6-11-20)14-9-15-23(25)19-17-21-12-7-4-8-13-21/h3-8,10-13,22-23H,9,14-19H2,1-2H3/t22-,23+
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54n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
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))
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))
BDBM50534744
PNG
(CHEMBL4518586)
Show SMILES Cl.Cl.Fc1ccc(CCN2CCN(CCc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C20H24F2N2/c21-19-5-1-17(2-6-19)9-11-23-13-15-24(16-14-23)12-10-18-3-7-20(22)8-4-18/h1-8H,9-16H2
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58n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50496686
PNG
(CHEMBL3133794)
Show SMILES OC[C@H](O)CN1[C@@H](CCc2ccc(OC(F)F)cc2)CCC[C@H]1CCc1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C26H33F4NO4/c27-25(28)34-23-12-6-18(7-13-23)4-10-20-2-1-3-21(31(20)16-22(33)17-32)11-5-19-8-14-24(15-9-19)35-26(29)30/h6-9,12-15,20-22,25-26,32-33H,1-5,10-11,16-17H2/t20-,21+,22-/m1/s1
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60n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
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))
BDBM50068436
PNG
(1,4-Bis-[2-(3-methoxy-phenyl)-ethyl]-piperazine | ...)
Show SMILES COc1cccc(CCN2CCN(CCc3cccc(OC)c3)CC2)c1
Show InChI InChI=1S/C22H30N2O2/c1-25-21-7-3-5-19(17-21)9-11-23-13-15-24(16-14-23)12-10-20-6-4-8-22(18-20)26-2/h3-8,17-18H,9-16H2,1-2H3
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60n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50496694
PNG
(CHEMBL3133689)
Show SMILES CCN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r|
Show InChI InChI=1S/C23H31N/c1-2-24-22(18-16-20-10-5-3-6-11-20)14-9-15-23(24)19-17-21-12-7-4-8-13-21/h3-8,10-13,22-23H,2,9,14-19H2,1H3/t22-,23+
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60n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50534739
PNG
(CHEMBL4444122)
Show SMILES Cl.Cl.Clc1ccccc1CCN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)11-13-23-16-14-22(15-17-23)12-10-18-6-2-1-3-7-18/h1-9H,10-17H2
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63n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
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))
BDBM50496696
PNG
(CHEMBL3133790)
Show SMILES OC[C@@H](O)CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C32H37NO2/c34-23-30(35)22-33-28(20-18-26-12-5-10-24-8-1-3-16-31(24)26)14-7-15-29(33)21-19-27-13-6-11-25-9-2-4-17-32(25)27/h1-6,8-13,16-17,28-30,34-35H,7,14-15,18-23H2/t28-,29+,30-/m0/s1
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80n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
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))
BDBM50496693
PNG
(CHEMBL3133690)
Show SMILES CCCN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r|
Show InChI InChI=1S/C24H33N/c1-2-20-25-23(18-16-21-10-5-3-6-11-21)14-9-15-24(25)19-17-22-12-7-4-8-13-22/h3-8,10-13,23-24H,2,9,14-20H2,1H3/t23-,24+
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87n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50534747
PNG
(CHEMBL4444692)
Show SMILES Cl.Cl.Fc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H25FN2/c21-20-8-6-19(7-9-20)11-13-23-16-14-22(15-17-23)12-10-18-4-2-1-3-5-18/h1-9H,10-17H2
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88n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50496674
PNG
(CHEMBL3133788)
Show SMILES OC[C@@H](O)CN1[C@@H](CCc2ccc(Cl)cc2Cl)CCC[C@H]1CCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C24H29Cl4NO2/c25-18-8-4-16(23(27)12-18)6-10-20-2-1-3-21(29(20)14-22(31)15-30)11-7-17-5-9-19(26)13-24(17)28/h4-5,8-9,12-13,20-22,30-31H,1-3,6-7,10-11,14-15H2/t20-,21+,22-/m0/s1
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90n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50534743
PNG
(CHEMBL4452875)
Show SMILES Cl.Cl.COc1cccc(CCN2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H28N2O/c1-24-21-9-5-8-20(18-21)11-13-23-16-14-22(15-17-23)12-10-19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3
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98n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50534742
PNG
(CHEMBL4532351)
Show SMILES Cl.Cl.COc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H28N2O/c1-24-21-9-7-20(8-10-21)12-14-23-17-15-22(16-18-23)13-11-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3
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100n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50496671
PNG
(CHEMBL3133798)
Show SMILES OC[C@H](O)CN1[C@@H](CCc2cc(F)cc(F)c2)CCC[C@H]1CCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C24H29F4NO2/c25-18-8-16(9-19(26)12-18)4-6-22-2-1-3-23(29(22)14-24(31)15-30)7-5-17-10-20(27)13-21(28)11-17/h8-13,22-24,30-31H,1-7,14-15H2/t22-,23+,24-/m1/s1
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104n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50534740
PNG
(CHEMBL4473454)
Show SMILES Cl.Cl.C(Cc1ccccc1)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H26N2/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-10H,11-18H2
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110n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
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))
BDBM50496696
PNG
(CHEMBL3133790)
Show SMILES OC[C@@H](O)CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C32H37NO2/c34-23-30(35)22-33-28(20-18-26-12-5-10-24-8-1-3-16-31(24)26)14-7-15-29(33)21-19-27-13-6-11-25-9-2-4-17-32(25)27/h1-6,8-13,16-17,28-30,34-35H,7,14-15,18-23H2/t28-,29+,30-/m0/s1
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130n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTBZ binding to VMAT2 in rat synaptic vesicle membranes


Medchemcomm 4: 564-568 (2013)


Article DOI: 10.1039/c3md20374c
BindingDB Entry DOI: 10.7270/Q2KD21VD
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
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