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PubMed code 16905316

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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
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
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50192907
PNG
(10R-hydroxylobel-7-ene | CHEMBL217815)
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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290n/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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50192904
PNG
(10R-hydroxylobelane | CHEMBL213148)
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-/m1/s1
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570n/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))
BDBM50192907
PNG
(10R-hydroxylobel-7-ene | CHEMBL217815)
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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590n/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
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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860n/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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
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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960n/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
Neuronal acetylcholine receptor subunit alpha-7


(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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1.21E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]MLA binding to alpha7 nAChR in rat brain 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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50192905
PNG
(8S-hydroxylobelane | CHEMBL377539)
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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1.26E+3n/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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50080814
PNG
((S)-2-((2S,6R)-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+/m1/s1
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1.39E+3n/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
Neuronal acetylcholine receptor subunit alpha-7


(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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1.70E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]MLA binding to alpha7 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50080814
PNG
((S)-2-((2S,6R)-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+/m1/s1
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1.77E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]NIC binding to alpha4beta2 nAChR in rat brain 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
Sodium-dependent dopamine 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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1.88E+3n/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))
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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1.98E+3n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50192905
PNG
(8S-hydroxylobelane | CHEMBL377539)
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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2.22E+3n/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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(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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2.36E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]NIC binding to alpha4beta2 nAChR in rat brain 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))
BDBM50422013
PNG
(LOBELINE | Lobeline Hydrochloride)
Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1
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+/m1/s1
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2.76E+3n/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))
BDBM50192905
PNG
(8S-hydroxylobelane | CHEMBL377539)
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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3.01E+3n/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))
BDBM50080814
PNG
((S)-2-((2S,6R)-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+/m1/s1
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3.09E+3n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
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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3.75E+3n/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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(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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4.19E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]NIC binding to alpha4beta2 nAChR in rat brain 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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50080814
PNG
((S)-2-((2S,6R)-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+/m1/s1
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4.27E+3n/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))
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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5.16E+3n/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))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
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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6.06E+3n/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))
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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6.44E+3n/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))
BDBM50192904
PNG
(10R-hydroxylobelane | CHEMBL213148)
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-/m1/s1
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6.60E+3n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50192904
PNG
(10R-hydroxylobelane | CHEMBL213148)
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-/m1/s1
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7.30E+3n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50192907
PNG
(10R-hydroxylobel-7-ene | CHEMBL217815)
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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7.50E+3n/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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(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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9.75E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]NIC binding to alpha4beta2 nAChR in rat brain 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
Sodium-dependent serotonin 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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1.90E+4n/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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50192905
PNG
(8S-hydroxylobelane | CHEMBL377539)
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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3.36E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]NIC binding to alpha4beta2 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50080814
PNG
((S)-2-((2S,6R)-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+/m1/s1
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3.93E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]MLA binding to alpha7 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]MLA binding to alpha7 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50192907
PNG
(10R-hydroxylobel-7-ene | CHEMBL217815)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]MLA binding to alpha7 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50192904
PNG
(10R-hydroxylobelane | CHEMBL213148)
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-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]NIC binding to alpha4beta2 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-7


(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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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]MLA binding to alpha7 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50192904
PNG
(10R-hydroxylobelane | CHEMBL213148)
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-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]MLA binding to alpha7 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50192907
PNG
(10R-hydroxylobel-7-ene | CHEMBL217815)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]NIC binding to alpha4beta2 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50192905
PNG
(8S-hydroxylobelane | CHEMBL377539)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]MLA binding to alpha7 nAChR in rat brain 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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]NIC binding to alpha4beta2 nAChR in rat brain 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
* indicates data uncertainty>20%