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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'hankosky' and Initial = 'er'   
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))
BDBM50453930
PNG
(CHEMBL4202598)
Show SMILES Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H28ClFN2O/c23-21-7-3-1-5-19(21)9-12-25-14-16-26(17-15-25)13-10-20-6-2-4-8-22(20)27-18-11-24/h1-8H,9-18H2
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14n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453926
PNG
(CHEMBL4213979)
Show SMILES Cl.FCCOc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H30FNO/c24-14-18-26-23-8-4-7-22(19-23)13-17-25-15-11-21(12-16-25)10-9-20-5-2-1-3-6-20/h1-8,19,21H,9-18H2
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24n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453923
PNG
(CHEMBL4210347)
Show SMILES Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28F2N2O/c23-11-18-27-22-4-2-1-3-20(22)10-13-26-16-14-25(15-17-26)12-9-19-5-7-21(24)8-6-19/h1-8H,9-18H2
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24n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453934
PNG
(CHEMBL4212482)
Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2ccccc2OCCF)CC1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-8-4-2-7-22(23)14-18-26-16-12-20(13-17-26)10-11-21-6-3-5-9-24(21)28-19-15-25/h2-9,20H,10-19H2,1H3
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25n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453919
PNG
(CHEMBL4204715)
Show SMILES Cl.FCCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO/c24-14-18-27-23-4-2-1-3-21(23)8-5-20-12-16-26(17-13-20)15-11-19-6-9-22(25)10-7-19/h1-4,6-7,9-10,20H,5,8,11-18H2
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27n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453927
PNG
(CHEMBL4208760)
Show SMILES Cl.FCCOc1ccccc1CCC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H30FNO/c24-15-19-26-23-9-5-4-8-22(23)11-10-21-13-17-25(18-14-21)16-12-20-6-2-1-3-7-20/h1-9,21H,10-19H2
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35n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453935
PNG
(CHEMBL4212474)
Show SMILES Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H29FN2O/c23-12-19-26-22-9-5-4-8-21(22)11-14-25-17-15-24(16-18-25)13-10-20-6-2-1-3-7-20/h1-9H,10-19H2
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35n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
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 [3H]dopamine uptake at VMAT2 in rat synaptic vesicles after 8 mins by liquid scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453924
PNG
(CHEMBL4209141)
Show SMILES Cl.FCCOc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H30FNO/c24-14-18-26-23-8-4-7-22(19-23)10-9-21-12-16-25(17-13-21)15-11-20-5-2-1-3-6-20/h1-8,19,21H,9-18H2
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53n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453922
PNG
(CHEMBL4218476)
Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1
Show InChI InChI=1S/C24H32FNO2/c1-27-24-8-3-2-6-22(24)13-17-26-15-11-20(12-16-26)9-10-21-5-4-7-23(19-21)28-18-14-25/h2-8,19-20H,9-18H2,1H3
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61n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453933
PNG
(CHEMBL4210865)
Show SMILES Cl.FCCOc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C23H29ClFNO/c24-22-7-3-1-5-20(22)13-17-26-15-11-19(12-16-26)9-10-21-6-2-4-8-23(21)27-18-14-25/h1-8,19H,9-18H2
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62n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453928
PNG
(CHEMBL4213543)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3cccc(OCCF)c3)CC2)cc1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-9-7-20(8-10-23)11-15-26-16-12-21(13-17-26)5-6-22-3-2-4-24(19-22)28-18-14-25/h2-4,7-10,19,21H,5-6,11-18H2,1H3
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67n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453930
PNG
(CHEMBL4202598)
Show SMILES Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H28ClFN2O/c23-21-7-3-1-5-19(21)9-12-25-14-16-26(17-15-25)13-10-20-6-2-4-8-22(20)27-18-11-24/h1-8H,9-18H2
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72n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453920
PNG
(CHEMBL4217431)
Show SMILES Cl.Cl.FCCOc1cccc(CCN2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C22H29FN2O/c23-11-18-26-22-8-4-7-21(19-22)10-13-25-16-14-24(15-17-25)12-9-20-5-2-1-3-6-20/h1-8,19H,9-18H2
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73n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453932
PNG
(CHEMBL4203660)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3ccccc3OCCF)CC2)cc1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-10-7-20(8-11-23)12-16-26-17-13-21(14-18-26)6-9-22-4-2-3-5-24(22)28-19-15-25/h2-5,7-8,10-11,21H,6,9,12-19H2,1H3
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73n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453925
PNG
(CHEMBL4209058)
Show SMILES Cl.FCCOc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H30FNO/c24-15-19-26-23-10-8-21(9-11-23)12-16-25-17-13-22(14-18-25)7-6-20-4-2-1-3-5-20/h1-5,8-11,22H,6-7,12-19H2
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150n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453931
PNG
(CHEMBL4212262)
Show SMILES Cl.FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C23H29ClFNO/c24-23-4-2-1-3-21(23)13-17-26-15-11-20(12-16-26)6-5-19-7-9-22(10-8-19)27-18-14-25/h1-4,7-10,20H,5-6,11-18H2
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190n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453935
PNG
(CHEMBL4212474)
Show SMILES Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H29FN2O/c23-12-19-26-22-9-5-4-8-21(22)11-14-25-17-15-24(16-18-25)13-10-20-6-2-1-3-7-20/h1-9H,10-19H2
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260n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453923
PNG
(CHEMBL4210347)
Show SMILES Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28F2N2O/c23-11-18-27-22-4-2-1-3-20(22)10-13-26-16-14-25(15-17-26)12-9-19-5-7-21(24)8-6-19/h1-8H,9-18H2
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300n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453925
PNG
(CHEMBL4209058)
Show SMILES Cl.FCCOc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H30FNO/c24-15-19-26-23-10-8-21(9-11-23)12-16-25-17-13-22(14-18-25)7-6-20-4-2-1-3-5-20/h1-5,8-11,22H,6-7,12-19H2
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390n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453929
PNG
(CHEMBL4206622)
Show SMILES Cl.Cl.FCCOc1ccc(CCN2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C22H28ClFN2O/c23-22-4-2-1-3-20(22)10-13-26-16-14-25(15-17-26)12-9-19-5-7-21(8-6-19)27-18-11-24/h1-8H,9-18H2
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450n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453922
PNG
(CHEMBL4218476)
Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1
Show InChI InChI=1S/C24H32FNO2/c1-27-24-8-3-2-6-22(24)13-17-26-15-11-20(12-16-26)9-10-21-5-4-7-23(19-21)28-18-14-25/h2-8,19-20H,9-18H2,1H3
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470n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453926
PNG
(CHEMBL4213979)
Show SMILES Cl.FCCOc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H30FNO/c24-14-18-26-23-8-4-7-22(19-23)13-17-25-15-11-21(12-16-25)10-9-20-5-2-1-3-6-20/h1-8,19,21H,9-18H2
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470n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453929
PNG
(CHEMBL4206622)
Show SMILES Cl.Cl.FCCOc1ccc(CCN2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C22H28ClFN2O/c23-22-4-2-1-3-20(22)10-13-26-16-14-25(15-17-26)12-9-19-5-7-21(8-6-19)27-18-11-24/h1-8H,9-18H2
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480n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453921
PNG
(CHEMBL4206313)
Show SMILES Cl.Cl.FCCOc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H29FN2O/c23-12-19-26-22-8-6-21(7-9-22)11-14-25-17-15-24(16-18-25)13-10-20-4-2-1-3-5-20/h1-9H,10-19H2
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600n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453928
PNG
(CHEMBL4213543)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3cccc(OCCF)c3)CC2)cc1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-9-7-20(8-10-23)11-15-26-16-12-21(13-17-26)5-6-22-3-2-4-24(19-22)28-18-14-25/h2-4,7-10,19,21H,5-6,11-18H2,1H3
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660n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453925
PNG
(CHEMBL4209058)
Show SMILES Cl.FCCOc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H30FNO/c24-15-19-26-23-10-8-21(9-11-23)12-16-25-17-13-22(14-18-25)7-6-20-4-2-1-3-5-20/h1-5,8-11,22H,6-7,12-19H2
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1.06E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453934
PNG
(CHEMBL4212482)
Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2ccccc2OCCF)CC1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-8-4-2-7-22(23)14-18-26-16-12-20(13-17-26)10-11-21-6-3-5-9-24(21)28-19-15-25/h2-9,20H,10-19H2,1H3
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1.16E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453933
PNG
(CHEMBL4210865)
Show SMILES Cl.FCCOc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C23H29ClFNO/c24-22-7-3-1-5-20(22)13-17-26-15-11-19(12-16-26)9-10-21-6-2-4-8-23(21)27-18-14-25/h1-8,19H,9-18H2
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1.45E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453923
PNG
(CHEMBL4210347)
Show SMILES Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28F2N2O/c23-11-18-27-22-4-2-1-3-20(22)10-13-26-16-14-25(15-17-26)12-9-19-5-7-21(24)8-6-19/h1-8H,9-18H2
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1.57E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453926
PNG
(CHEMBL4213979)
Show SMILES Cl.FCCOc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H30FNO/c24-14-18-26-23-8-4-7-22(19-23)13-17-25-15-11-21(12-16-25)10-9-20-5-2-1-3-6-20/h1-8,19,21H,9-18H2
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1.96E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453932
PNG
(CHEMBL4203660)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3ccccc3OCCF)CC2)cc1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-10-7-20(8-11-23)12-16-26-17-13-21(14-18-26)6-9-22-4-2-3-5-24(22)28-19-15-25/h2-5,7-8,10-11,21H,6,9,12-19H2,1H3
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2.13E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453919
PNG
(CHEMBL4204715)
Show SMILES Cl.FCCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO/c24-14-18-27-23-4-2-1-3-21(23)8-5-20-12-16-26(17-13-20)15-11-19-6-9-22(25)10-7-19/h1-4,6-7,9-10,20H,5,8,11-18H2
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2.14E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453930
PNG
(CHEMBL4202598)
Show SMILES Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H28ClFN2O/c23-21-7-3-1-5-19(21)9-12-25-14-16-26(17-15-25)13-10-20-6-2-4-8-22(20)27-18-11-24/h1-8H,9-18H2
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2.24E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453934
PNG
(CHEMBL4212482)
Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2ccccc2OCCF)CC1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-8-4-2-7-22(23)14-18-26-16-12-20(13-17-26)10-11-21-6-3-5-9-24(21)28-19-15-25/h2-9,20H,10-19H2,1H3
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2.31E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453924
PNG
(CHEMBL4209141)
Show SMILES Cl.FCCOc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H30FNO/c24-14-18-26-23-8-4-7-22(19-23)10-9-21-12-16-25(17-13-21)15-11-20-5-2-1-3-6-20/h1-8,19,21H,9-18H2
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2.41E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453931
PNG
(CHEMBL4212262)
Show SMILES Cl.FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C23H29ClFNO/c24-23-4-2-1-3-21(23)13-17-26-15-11-20(12-16-26)6-5-19-7-9-22(10-8-19)27-18-14-25/h1-4,7-10,20H,5-6,11-18H2
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2.71E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453921
PNG
(CHEMBL4206313)
Show SMILES Cl.Cl.FCCOc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H29FN2O/c23-12-19-26-22-8-6-21(7-9-22)11-14-25-17-15-24(16-18-25)13-10-20-4-2-1-3-5-20/h1-9H,10-19H2
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2.74E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453927
PNG
(CHEMBL4208760)
Show SMILES Cl.FCCOc1ccccc1CCC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H30FNO/c24-15-19-26-23-9-5-4-8-22(23)11-10-21-13-17-25(18-14-21)16-12-20-6-2-1-3-7-20/h1-9,21H,10-19H2
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2.75E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453933
PNG
(CHEMBL4210865)
Show SMILES Cl.FCCOc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C23H29ClFNO/c24-22-7-3-1-5-20(22)13-17-26-15-11-19(12-16-26)9-10-21-6-2-4-8-23(21)27-18-14-25/h1-8,19H,9-18H2
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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]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453924
PNG
(CHEMBL4209141)
Show SMILES Cl.FCCOc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H30FNO/c24-14-18-26-23-8-4-7-22(19-23)10-9-21-12-16-25(17-13-21)15-11-20-5-2-1-3-6-20/h1-8,19,21H,9-18H2
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3.14E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453921
PNG
(CHEMBL4206313)
Show SMILES Cl.Cl.FCCOc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H29FN2O/c23-12-19-26-22-8-6-21(7-9-22)11-14-25-17-15-24(16-18-25)13-10-20-4-2-1-3-5-20/h1-9H,10-19H2
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3.37E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453931
PNG
(CHEMBL4212262)
Show SMILES Cl.FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C23H29ClFNO/c24-23-4-2-1-3-21(23)13-17-26-15-11-20(12-16-26)6-5-19-7-9-22(10-8-19)27-18-14-25/h1-4,7-10,20H,5-6,11-18H2
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3.62E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453919
PNG
(CHEMBL4204715)
Show SMILES Cl.FCCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO/c24-14-18-27-23-4-2-1-3-21(23)8-5-20-12-16-26(17-13-20)15-11-19-6-9-22(25)10-7-19/h1-4,6-7,9-10,20H,5,8,11-18H2
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3.66E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453928
PNG
(CHEMBL4213543)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3cccc(OCCF)c3)CC2)cc1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-9-7-20(8-10-23)11-15-26-16-12-21(13-17-26)5-6-22-3-2-4-24(19-22)28-18-14-25/h2-4,7-10,19,21H,5-6,11-18H2,1H3
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3.70E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453935
PNG
(CHEMBL4212474)
Show SMILES Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H29FN2O/c23-12-19-26-22-9-5-4-8-21(22)11-14-25-17-15-24(16-18-25)13-10-20-6-2-1-3-7-20/h1-9H,10-19H2
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4.57E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453922
PNG
(CHEMBL4218476)
Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1
Show InChI InChI=1S/C24H32FNO2/c1-27-24-8-3-2-6-22(24)13-17-26-15-11-20(12-16-26)9-10-21-5-4-7-23(19-21)28-18-14-25/h2-8,19-20H,9-18H2,1H3
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4.79E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453929
PNG
(CHEMBL4206622)
Show SMILES Cl.Cl.FCCOc1ccc(CCN2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C22H28ClFN2O/c23-22-4-2-1-3-20(22)10-13-26-16-14-25(15-17-26)12-9-19-5-7-21(8-6-19)27-18-11-24/h1-8H,9-18H2
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5.36E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453932
PNG
(CHEMBL4203660)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3ccccc3OCCF)CC2)cc1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-10-7-20(8-11-23)12-16-26-17-13-21(14-18-26)6-9-22-4-2-3-5-24(22)28-19-15-25/h2-5,7-8,10-11,21H,6,9,12-19H2,1H3
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5.58E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453927
PNG
(CHEMBL4208760)
Show SMILES Cl.FCCOc1ccccc1CCC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H30FNO/c24-15-19-26-23-9-5-4-8-22(23)11-10-21-13-17-25(18-14-21)16-12-20-6-2-1-3-7-20/h1-9,21H,10-19H2
PDB

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5.68E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
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