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PubMed code 9934496

Compile data set for download or QSAR
Found 27 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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035729
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane | 8-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50073433
PNG
((R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C(C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3|
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21?/m1/s1
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n/an/a 1.96n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50073433
PNG
((R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C(C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3|
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50073434
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES [H][C@@]12CC[C@@]([H])([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19+,20+/m1/s1
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n/an/a 12.6n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50073434
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES [H][C@@]12CC[C@@]([H])([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19+,20+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50450807
PNG
(CHEMBL3085511)
Show SMILES [H][C@@]12CC[C@@]([H])(C(C(C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18?,19+,20?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50450807
PNG
(CHEMBL3085511)
Show SMILES [H][C@@]12CC[C@@]([H])(C(C(C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18?,19+,20?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50035729
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane | 8-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3
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n/an/a 60n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50035729
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane | 8-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50073433
PNG
((R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C(C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3|
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50073433
PNG
((R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C(C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3|
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21?/m1/s1
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n/an/a 479n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50073434
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES [H][C@@]12CC[C@@]([H])([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19+,20+/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50073434
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES [H][C@@]12CC[C@@]([H])([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19+,20+/m1/s1
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n/an/a 917n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50450807
PNG
(CHEMBL3085511)
Show SMILES [H][C@@]12CC[C@@]([H])(C(C(C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18?,19+,20?/m1/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50450807
PNG
(CHEMBL3085511)
Show SMILES [H][C@@]12CC[C@@]([H])(C(C(C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18?,19+,20?/m1/s1
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n/an/a 2.77E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50073433
PNG
((R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C(C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3|
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21?/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50073433
PNG
((R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C(C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3|
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21?/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50073434
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES [H][C@@]12CC[C@@]([H])([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19+,20+/m1/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50073434
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES [H][C@@]12CC[C@@]([H])([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19+,20+/m1/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50450807
PNG
(CHEMBL3085511)
Show SMILES [H][C@@]12CC[C@@]([H])(C(C(C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18?,19+,20?/m1/s1
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n/an/a 3.47E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50450807
PNG
(CHEMBL3085511)
Show SMILES [H][C@@]12CC[C@@]([H])(C(C(C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18?,19+,20?/m1/s1
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n/an/a 3.47E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter

Bioorg Med Chem Lett 8: 3689-92 (1999)


BindingDB Entry DOI: 10.7270/Q22Z162N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%