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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50038999   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303312
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-phenyl-no...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-14(10-19(18)22)13-24-20(15-4-2-1-3-5-15)11-16-7-8-17(12-20)23-16/h1-6,9-10,16-17,23H,7-8,11-13H2
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0.0610n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303314
PNG
(3-alpha-(4-Chlorophenyl)methoxy-3-beta-(4-chloroph...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H21Cl2NO/c21-16-5-1-14(2-6-16)13-24-20(15-3-7-17(22)8-4-15)11-18-9-10-19(12-20)23-18/h1-8,18-19,23H,9-13H2
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0.100n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303309
PNG
(3-(3,4-dichlorophenyl)-2-nortropene | CHEMBL578130)
Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11|
Show InChI InChI=1S/C13H13Cl2N/c14-12-4-1-8(7-13(12)15)9-5-10-2-3-11(6-9)16-10/h1,4-5,7,10-11,16H,2-3,6H2
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0.300n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303308
PNG
(3-(4-Trifluoromethylphenyl)-2-nortropene | CHEMBL5...)
Show SMILES FC(F)(F)c1ccc(cc1)C1=CC2CCC(C1)N2 |t:11,TLB:7:10:17:14.13|
Show InChI InChI=1S/C14H14F3N/c15-14(16,17)11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)18-12/h1-4,7,12-13,18H,5-6,8H2
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1.80n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303307
PNG
(3-(4-Chlorophenyl)-2-nortropene | CHEMBL576508)
Show SMILES Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
Show InChI InChI=1S/C13H14ClN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2
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2.80n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303318
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(3,4-dich...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H19Cl4NO/c21-16-5-1-12(7-18(16)23)11-26-20(9-14-3-4-15(10-20)25-14)13-2-6-17(22)19(24)8-13/h1-2,5-8,14-15,25H,3-4,9-11H2
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4.70n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303311
PNG
(3-alpha-(4-Chlorophenyl)methoxy-3-beta-phenyl-nort...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2
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6.10n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303315
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(4-chloro...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H20Cl3NO/c21-15-4-1-13(2-5-15)12-25-20(10-16-6-7-17(11-20)24-16)14-3-8-18(22)19(23)9-14/h1-5,8-9,16-17,24H,6-7,10-12H2
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8.5n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303312
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-phenyl-no...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-14(10-19(18)22)13-24-20(15-4-2-1-3-5-15)11-16-7-8-17(12-20)23-16/h1-6,9-10,16-17,23H,7-8,11-13H2
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16n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303309
PNG
(3-(3,4-dichlorophenyl)-2-nortropene | CHEMBL578130)
Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11|
Show InChI InChI=1S/C13H13Cl2N/c14-12-4-1-8(7-13(12)15)9-5-10-2-3-11(6-9)16-10/h1,4-5,7,10-11,16H,2-3,6H2
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16n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303309
PNG
(3-(3,4-dichlorophenyl)-2-nortropene | CHEMBL578130)
Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11|
Show InChI InChI=1S/C13H13Cl2N/c14-12-4-1-8(7-13(12)15)9-5-10-2-3-11(6-9)16-10/h1,4-5,7,10-11,16H,2-3,6H2
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20n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303311
PNG
(3-alpha-(4-Chlorophenyl)methoxy-3-beta-phenyl-nort...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2
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22n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303317
PNG
(3-alpha-Phenylmethoxy-3-beta-(3,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1Cl)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:16:8:15:11.12,THB:4:8:15:11.12|
Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-15(10-19(18)22)20(11-16-7-8-17(12-20)23-16)24-13-14-4-2-1-3-5-14/h1-6,9-10,16-17,23H,7-8,11-13H2
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62n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303314
PNG
(3-alpha-(4-Chlorophenyl)methoxy-3-beta-(4-chloroph...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H21Cl2NO/c21-16-5-1-14(2-6-16)13-24-20(15-3-7-17(22)8-4-15)11-18-9-10-19(12-20)23-18/h1-8,18-19,23H,9-13H2
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63n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303313
PNG
(3-alpha-Phenylmethoxy-3-beta-(4-chlorophenyl)-nort...)
Show SMILES Clc1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:15:7:14:10.11,THB:4:7:14:10.11|
Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(12-18-10-11-19(13-20)22-18)23-14-15-4-2-1-3-5-15/h1-9,18-19,22H,10-14H2
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65n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303311
PNG
(3-alpha-(4-Chlorophenyl)methoxy-3-beta-phenyl-nort...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2
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101n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303310
PNG
(3-alpha-Phenylmethoxy-3-beta-phenyl-nortropane | C...)
Show SMILES C(OC1(CC2CCC(C1)N2)c1ccccc1)c1ccccc1 |TLB:1:2:9:5.6,THB:10:2:9:5.6|
Show InChI InChI=1S/C20H23NO/c1-3-7-16(8-4-1)15-22-20(17-9-5-2-6-10-17)13-18-11-12-19(14-20)21-18/h1-10,18-19,21H,11-15H2
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117n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303307
PNG
(3-(4-Chlorophenyl)-2-nortropene | CHEMBL576508)
Show SMILES Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
Show InChI InChI=1S/C13H14ClN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2
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120n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303306
PNG
(3-(4-Fluorophenyl)-2-nortropene | CHEMBL570638)
Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
Show InChI InChI=1S/C13H14FN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2
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129n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303313
PNG
(3-alpha-Phenylmethoxy-3-beta-(4-chlorophenyl)-nort...)
Show SMILES Clc1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:15:7:14:10.11,THB:4:7:14:10.11|
Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(12-18-10-11-19(13-20)22-18)23-14-15-4-2-1-3-5-15/h1-9,18-19,22H,10-14H2
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172n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303305
PNG
(3-Phenyl-2-nortropene | CHEMBL576092)
Show SMILES C1CC2NC1CC(=C2)c1ccccc1 |c:7,TLB:8:6:3:0.1|
Show InChI InChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2
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176n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303307
PNG
(3-(4-Chlorophenyl)-2-nortropene | CHEMBL576508)
Show SMILES Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
Show InChI InChI=1S/C13H14ClN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2
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231n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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237n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303310
PNG
(3-alpha-Phenylmethoxy-3-beta-phenyl-nortropane | C...)
Show SMILES C(OC1(CC2CCC(C1)N2)c1ccccc1)c1ccccc1 |TLB:1:2:9:5.6,THB:10:2:9:5.6|
Show InChI InChI=1S/C20H23NO/c1-3-7-16(8-4-1)15-22-20(17-9-5-2-6-10-17)13-18-11-12-19(14-20)21-18/h1-10,18-19,21H,11-15H2
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247n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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286n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303315
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(4-chloro...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H20Cl3NO/c21-15-4-1-13(2-5-15)12-25-20(10-16-6-7-17(11-20)24-16)14-3-8-18(22)19(23)9-14/h1-5,8-9,16-17,24H,6-7,10-12H2
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390n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303316
PNG
(3-alpha-Phenylmethoxy-3-beta-(4-trifluoromethylphe...)
Show SMILES FC(F)(F)c1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:18:10:17:13.14,THB:7:10:17:13.14|
Show InChI InChI=1S/C21H22F3NO/c22-21(23,24)17-8-6-16(7-9-17)20(12-18-10-11-19(13-20)25-18)26-14-15-4-2-1-3-5-15/h1-9,18-19,25H,10-14H2
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534n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303317
PNG
(3-alpha-Phenylmethoxy-3-beta-(3,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1Cl)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:16:8:15:11.12,THB:4:8:15:11.12|
Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-15(10-19(18)22)20(11-16-7-8-17(12-20)23-16)24-13-14-4-2-1-3-5-14/h1-6,9-10,16-17,23H,7-8,11-13H2
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716n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303308
PNG
(3-(4-Trifluoromethylphenyl)-2-nortropene | CHEMBL5...)
Show SMILES FC(F)(F)c1ccc(cc1)C1=CC2CCC(C1)N2 |t:11,TLB:7:10:17:14.13|
Show InChI InChI=1S/C14H14F3N/c15-14(16,17)11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)18-12/h1-4,7,12-13,18H,5-6,8H2
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777n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303312
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-phenyl-no...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-14(10-19(18)22)13-24-20(15-4-2-1-3-5-15)11-16-7-8-17(12-20)23-16/h1-6,9-10,16-17,23H,7-8,11-13H2
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996n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303306
PNG
(3-(4-Fluorophenyl)-2-nortropene | CHEMBL570638)
Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
Show InChI InChI=1S/C13H14FN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2
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1.06E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303305
PNG
(3-Phenyl-2-nortropene | CHEMBL576092)
Show SMILES C1CC2NC1CC(=C2)c1ccccc1 |c:7,TLB:8:6:3:0.1|
Show InChI InChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2
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1.22E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303317
PNG
(3-alpha-Phenylmethoxy-3-beta-(3,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1Cl)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:16:8:15:11.12,THB:4:8:15:11.12|
Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-15(10-19(18)22)20(11-16-7-8-17(12-20)23-16)24-13-14-4-2-1-3-5-14/h1-6,9-10,16-17,23H,7-8,11-13H2
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1.23E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303305
PNG
(3-Phenyl-2-nortropene | CHEMBL576092)
Show SMILES C1CC2NC1CC(=C2)c1ccccc1 |c:7,TLB:8:6:3:0.1|
Show InChI InChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2
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1.29E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303316
PNG
(3-alpha-Phenylmethoxy-3-beta-(4-trifluoromethylphe...)
Show SMILES FC(F)(F)c1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:18:10:17:13.14,THB:7:10:17:13.14|
Show InChI InChI=1S/C21H22F3NO/c22-21(23,24)17-8-6-16(7-9-17)20(12-18-10-11-19(13-20)25-18)26-14-15-4-2-1-3-5-15/h1-9,18-19,25H,10-14H2
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1.39E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303308
PNG
(3-(4-Trifluoromethylphenyl)-2-nortropene | CHEMBL5...)
Show SMILES FC(F)(F)c1ccc(cc1)C1=CC2CCC(C1)N2 |t:11,TLB:7:10:17:14.13|
Show InChI InChI=1S/C14H14F3N/c15-14(16,17)11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)18-12/h1-4,7,12-13,18H,5-6,8H2
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1.49E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303313
PNG
(3-alpha-Phenylmethoxy-3-beta-(4-chlorophenyl)-nort...)
Show SMILES Clc1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:15:7:14:10.11,THB:4:7:14:10.11|
Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(12-18-10-11-19(13-20)22-18)23-14-15-4-2-1-3-5-15/h1-9,18-19,22H,10-14H2
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1.72E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303306
PNG
(3-(4-Fluorophenyl)-2-nortropene | CHEMBL570638)
Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
Show InChI InChI=1S/C13H14FN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2
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1.99E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303315
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(4-chloro...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H20Cl3NO/c21-15-4-1-13(2-5-15)12-25-20(10-16-6-7-17(11-20)24-16)14-3-8-18(22)19(23)9-14/h1-5,8-9,16-17,24H,6-7,10-12H2
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2.09E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303314
PNG
(3-alpha-(4-Chlorophenyl)methoxy-3-beta-(4-chloroph...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H21Cl2NO/c21-16-5-1-14(2-6-16)13-24-20(15-3-7-17(22)8-4-15)11-18-9-10-19(12-20)23-18/h1-8,18-19,23H,9-13H2
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2.37E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303318
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(3,4-dich...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H19Cl4NO/c21-16-5-1-12(7-18(16)23)11-26-20(9-14-3-4-15(10-20)25-14)13-2-6-17(22)19(24)8-13/h1-2,5-8,14-15,25H,3-4,9-11H2
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2.55E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50303318
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(3,4-dich...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Show InChI InChI=1S/C20H19Cl4NO/c21-16-5-1-12(7-18(16)23)11-26-20(9-14-3-4-15(10-20)25-14)13-2-6-17(22)19(24)8-13/h1-2,5-8,14-15,25H,3-4,9-11H2
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2.93E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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3.19E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303316
PNG
(3-alpha-Phenylmethoxy-3-beta-(4-trifluoromethylphe...)
Show SMILES FC(F)(F)c1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:18:10:17:13.14,THB:7:10:17:13.14|
Show InChI InChI=1S/C21H22F3NO/c22-21(23,24)17-8-6-16(7-9-17)20(12-18-10-11-19(13-20)25-18)26-14-15-4-2-1-3-5-15/h1-9,18-19,25H,10-14H2
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5.44E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 19: 6865-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.087
BindingDB Entry DOI: 10.7270/Q24T6K9G
More data for this
Ligand-Target Pair