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Compile Data Set for Download or QSAR

Found 471 hits with Last Name = 'deaciuc' and Initial = 'ag'   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes


Bioorg Med Chem Lett 12: 3067-71 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)|
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
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2.30n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat br...


Bioorg Med Chem Lett 12: 3067-71 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50080818
PNG
((-)-lobeline | 2-(6-(2-Hydroxy-2-phenylethyl)-1-me...)
Show SMILES CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-nicotine binding to vesicular monoamine transporter-2 of rat brain membranes


Bioorg Med Chem Lett 15: 4463-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.032
BindingDB Entry DOI: 10.7270/Q2J38S3H
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50017701
PNG
(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
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13n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]MTBZ from VMAT2 in rat whole brain vesicles by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 640-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.002
BindingDB Entry DOI: 10.7270/Q2XS5WB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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18n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at DAT in rat brain striatal synaptosomes by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 640-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.002
BindingDB Entry DOI: 10.7270/Q2XS5WB2
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))
BDBM50442287
PNG
(CHEMBL2442145)
Show SMILES COc1ccc(CC[C@H]2C[C@@H](CCc3ccc(OC)cc3)N2)cc1 |r|
Show InChI InChI=1S/C21H27NO2/c1-23-20-11-5-16(6-12-20)3-9-18-15-19(22-18)10-4-17-7-13-21(24-2)14-8-17/h5-8,11-14,18-19,22H,3-4,9-10,15H2,1-2H3/t18-,19+
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24n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy


Bioorg Med Chem 21: 6771-7 (2013)


Article DOI: 10.1016/j.bmc.2013.08.001
BindingDB Entry DOI: 10.7270/Q23X883J
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50192902
PNG
(2-ethyl-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-he...)
Show SMILES CCC1(O)CC2N(CCc3cc(OC)c(OC)cc23)CC1CC(C)C
Show InChI InChI=1S/C21H33NO3/c1-6-21(23)12-18-17-11-20(25-5)19(24-4)10-15(17)7-8-22(18)13-16(21)9-14(2)3/h10-11,14,16,18,23H,6-9,12-13H2,1-5H3
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28n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5018-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.070
BindingDB Entry DOI: 10.7270/Q2513XTK
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 VMAT2-mediated [3H]DA uptake in rat striatal synaptic vesicles by liquid scintillation spectroscopic analysis


Bioorg Med Chem Lett 23: 3342-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.092
BindingDB Entry DOI: 10.7270/Q2TD9ZR2
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))
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))
BDBM50442289
PNG
(CHEMBL2442143)
Show SMILES C(Cc1ccc2OCOc2c1)[C@@H]1C[C@@H](CCc2ccc3OCOc3c2)N1 |r|
Show InChI InChI=1S/C21H23NO4/c1(14-3-7-18-20(9-14)25-12-23-18)5-16-11-17(22-16)6-2-15-4-8-19-21(10-15)26-13-24-19/h3-4,7-10,16-17,22H,1-2,5-6,11-13H2/t16-,17-/m1/s1
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31n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy


Bioorg Med Chem 21: 6771-7 (2013)


Article DOI: 10.1016/j.bmc.2013.08.001
BindingDB Entry DOI: 10.7270/Q23X883J
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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41n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at SERT in rat brain hippocampal synaptosomes by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 640-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.002
BindingDB Entry DOI: 10.7270/Q2XS5WB2
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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43n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy


Bioorg Med Chem 21: 6771-7 (2013)


Article DOI: 10.1016/j.bmc.2013.08.001
BindingDB Entry DOI: 10.7270/Q23X883J
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50192903
PNG
(8R-hydroxylobel-9-ene | CHEMBL425617)
Show SMILES CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-22,24H,8,13-14,17H2,1H3/b16-15+/t20-,21+,22+/m0/s1
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44n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at DAT in rat brain striatal synaptosomes by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 640-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.002
BindingDB Entry DOI: 10.7270/Q2XS5WB2
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50192903
PNG
(8R-hydroxylobel-9-ene | CHEMBL425617)
Show SMILES CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-22,24H,8,13-14,17H2,1H3/b16-15+/t20-,21+,22+/m0/s1
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44n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at SERT in rat hippocampal synaptosomes


Bioorg Med Chem Lett 16: 5018-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.070
BindingDB Entry DOI: 10.7270/Q2513XTK
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50433777
PNG
(CHEMBL2381727)
Show SMILES OC[C@H](O)CN1[C@@H](CCc2ccc(OC(F)F)cc2)CC[C@H]1CCc1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C25H31F4NO4/c26-24(27)33-22-11-3-17(4-12-22)1-7-19-9-10-20(30(19)15-21(32)16-31)8-2-18-5-13-23(14-6-18)34-25(28)29/h3-6,11-14,19-21,24-25,31-32H,1-2,7-10,15-16H2/t19-,20+,21-/m1/s1
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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 VMAT2-mediated [3H]DA uptake in rat striatal synaptic vesicles by liquid scintillation spectroscopic analysis


Bioorg Med Chem Lett 23: 3342-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.092
BindingDB Entry DOI: 10.7270/Q2TD9ZR2
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 Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy


Bioorg Med Chem 21: 6771-7 (2013)


Article DOI: 10.1016/j.bmc.2013.08.001
BindingDB Entry DOI: 10.7270/Q23X883J
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))
BDBM50442291
PNG
(CHEMBL2442141)
Show SMILES C(Cc1ccccc1)[C@@H]1C[C@@H](CCc2ccccc2)N1 |r|
Show InChI InChI=1S/C19H23N/c1-3-7-16(8-4-1)11-13-18-15-19(20-18)14-12-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19-/m1/s1
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48n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy


Bioorg Med Chem 21: 6771-7 (2013)


Article DOI: 10.1016/j.bmc.2013.08.001
BindingDB Entry DOI: 10.7270/Q23X883J
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))
BDBM50433779
PNG
(CHEMBL2381725)
Show SMILES COc1ccc(CC[C@H]2CC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 |r|
Show InChI InChI=1S/C25H35NO4/c1-29-24-13-5-19(6-14-24)3-9-21-11-12-22(26(21)17-23(28)18-27)10-4-20-7-15-25(30-2)16-8-20/h5-8,13-16,21-23,27-28H,3-4,9-12,17-18H2,1-2H3/t21-,22+,23-/m1/s1
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49n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]DA uptake in rat striatal synaptic vesicles by liquid scintillation spectroscopic analysis


Bioorg Med Chem Lett 23: 3342-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.092
BindingDB Entry DOI: 10.7270/Q2TD9ZR2
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))
BDBM50442286
PNG
(CHEMBL2442146)
Show SMILES C(Cc1ccc2OCOc2c1)[C@H]1C[C@@H](CCc2ccc3OCOc3c2)N1 |r|
Show InChI InChI=1S/C21H23NO4/c1(14-3-7-18-20(9-14)25-12-23-18)5-16-11-17(22-16)6-2-15-4-8-19-21(10-15)26-13-24-19/h3-4,7-10,16-17,22H,1-2,5-6,11-13H2/t16-,17+
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55n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy


Bioorg Med Chem 21: 6771-7 (2013)


Article DOI: 10.1016/j.bmc.2013.08.001
BindingDB Entry DOI: 10.7270/Q23X883J
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))
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))
BDBM50442288
PNG
(CHEMBL2442144)
Show SMILES C(Cc1ccccc1)[C@H]1C[C@@H](CCc2ccccc2)N1 |r|
Show InChI InChI=1S/C19H23N/c1-3-7-16(8-4-1)11-13-18-15-19(20-18)14-12-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+
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62n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy


Bioorg Med Chem 21: 6771-7 (2013)


Article DOI: 10.1016/j.bmc.2013.08.001
BindingDB Entry DOI: 10.7270/Q23X883J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50119791
PNG
(1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...)
Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
Show InChI InChI=1S/C20H35N2/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3/q+1/t20-/m0/s1
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64n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes


Bioorg Med Chem Lett 12: 3067-71 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50442290
PNG
(CHEMBL2442142)
Show SMILES COc1ccc(CC[C@@H]2C[C@@H](CCc3ccc(OC)cc3)N2)cc1 |r|
Show InChI InChI=1S/C21H27NO2/c1-23-20-11-5-16(6-12-20)3-9-18-15-19(22-18)10-4-17-7-13-21(24-2)14-8-17/h5-8,11-14,18-19,22H,3-4,9-10,15H2,1-2H3/t18-,19-/m1/s1
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66n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy


Bioorg Med Chem 21: 6771-7 (2013)


Article DOI: 10.1016/j.bmc.2013.08.001
BindingDB Entry DOI: 10.7270/Q23X883J
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))
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50119791
PNG
(1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...)
Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
Show InChI InChI=1S/C20H35N2/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3/q+1/t20-/m0/s1
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90n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
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))
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50080826
PNG
((S)-2-[(2S,6R)-1-Methyl-6-((E)-styryl)-piperidin-2...)
Show SMILES CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-22,24H,8,13-14,17H2,1H3/b16-15+/t20-,21+,22+/m1/s1
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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 DAT in rat striatal synaptosomes


Bioorg Med Chem Lett 16: 5018-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.070
BindingDB Entry DOI: 10.7270/Q2513XTK
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))
BDBM50496688
PNG
(CHEMBL3133787)
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-/m1/s1
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140n/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))
BDBM50496689
PNG
(CHEMBL3133784)
Show SMILES COc1cccc(CC[C@H]2CCC[C@@H](CCc3cccc(OC)c3)N2C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C26H37NO4/c1-30-25-10-3-6-20(16-25)12-14-22-8-5-9-23(27(22)18-24(29)19-28)15-13-21-7-4-11-26(17-21)31-2/h3-4,6-7,10-11,16-17,22-24,28-29H,5,8-9,12-15,18-19H2,1-2H3/t22-,23+,24-/m1/s1
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140n/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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143302
PNG
((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...)
Show SMILES CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
Show InChI InChI=1S/C22H39N2/c1-3-4-5-6-7-8-9-10-11-12-18-24-19-13-15-21(20-24)22-16-14-17-23(22)2/h13,15,19-20,22H,3-12,14,16-18H2,1-2H3/q+1/t22-/m0/s1
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140n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50080821
PNG
((R)-2-((2R,6S)-1-Methyl-6-phenethyl-piperidin-2-yl...)
Show SMILES CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1
Show InChI InChI=1S/C22H29NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,20-22,24H,8,13-17H2,1H3/t20-,21+,22+/m0/s1
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150n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at SERT in rat hippocampal synaptosomes


Bioorg Med Chem Lett 16: 5018-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.070
BindingDB Entry DOI: 10.7270/Q2513XTK
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50433780
PNG
(CHEMBL2381724)
Show SMILES COc1cccc(CC[C@H]2CC[C@@H](CCc3cccc(OC)c3)N2C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C25H35NO4/c1-29-24-7-3-5-19(15-24)9-11-21-13-14-22(26(21)17-23(28)18-27)12-10-20-6-4-8-25(16-20)30-2/h3-8,15-16,21-23,27-28H,9-14,17-18H2,1-2H3/t21-,22+,23-/m1/s1
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160n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]DA uptake in rat striatal synaptic vesicles by liquid scintillation spectroscopic analysis


Bioorg Med Chem Lett 23: 3342-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.092
BindingDB Entry DOI: 10.7270/Q2TD9ZR2
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50496666
PNG
(CHEMBL3133700)
Show SMILES OC[C@H](O)CN1[C@@H](CCc2ccc3OCOc3c2)CCC[C@H]1CCc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C26H33NO6/c28-15-22(29)14-27-20(8-4-18-6-10-23-25(12-18)32-16-30-23)2-1-3-21(27)9-5-19-7-11-24-26(13-19)33-17-31-24/h6-7,10-13,20-22,28-29H,1-5,8-9,14-17H2/t20-,21+,22-/m1/s1
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160n/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))
BDBM50496685
PNG
(CHEMBL3133796)
Show SMILES COc1ccc(F)c(CC[C@H]2CCC[C@@H](CCc3cc(OC)ccc3F)N2C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C26H35F2NO4/c1-32-23-10-12-25(27)18(14-23)6-8-20-4-3-5-21(29(20)16-22(31)17-30)9-7-19-15-24(33-2)11-13-26(19)28/h10-15,20-22,30-31H,3-9,16-17H2,1-2H3/t20-,21+,22-/m1/s1
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160n/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))
BDBM50496664
PNG
(CHEMBL3133692)
Show SMILES OCCN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r|
Show InChI InChI=1S/C23H31NO/c25-19-18-24-22(16-14-20-8-3-1-4-9-20)12-7-13-23(24)17-15-21-10-5-2-6-11-21/h1-6,8-11,22-23,25H,7,12-19H2/t22-,23+
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170n/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))
BDBM50433778
PNG
(CHEMBL2381726)
Show SMILES OC[C@H](O)CN1[C@@H](CCc2cccc(F)c2)CC[C@H]1CCc1cccc(F)c1 |r|
Show InChI InChI=1S/C23H29F2NO2/c24-19-5-1-3-17(13-19)7-9-21-11-12-22(26(21)15-23(28)16-27)10-8-18-4-2-6-20(25)14-18/h1-6,13-14,21-23,27-28H,7-12,15-16H2/t21-,22+,23-/m1/s1
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170n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]DA uptake in rat striatal synaptic vesicles by liquid scintillation spectroscopic analysis


Bioorg Med Chem Lett 23: 3342-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.092
BindingDB Entry DOI: 10.7270/Q2TD9ZR2
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50496676
PNG
(CHEMBL3133786)
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-/m0/s1
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180n/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))
BDBM50496670
PNG
(CHEMBL3133695)
Show SMILES CN(C)CCN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N2/c1-26(2)20-21-27-24(18-16-22-10-5-3-6-11-22)14-9-15-25(27)19-17-23-12-7-4-8-13-23/h3-8,10-13,24-25H,9,14-21H2,1-2H3/t24-,25+
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180n/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
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