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PubMed code 8164265

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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50453639
PNG
(CHEMBL2112889)
Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:16:6:5:3.2|
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12-,13?,14+/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50006784
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
Show InChI InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17+/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50041282
PNG
((3S,8R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11?,12-,13?,14?/m1/s1
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n/an/a 0.620n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50453639
PNG
(CHEMBL2112889)
Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:16:6:5:3.2|
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12-,13?,14+/m1/s1
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n/an/a 0.690n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50453638
PNG
(CHEMBL2112877)
Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC(C)C |TLB:9:7:5:3.2,THB:16:6:5:3.2|
Show InChI InChI=1S/C17H22INO2/c1-10(2)21-17(20)16-14(9-13-7-8-15(16)19-13)11-3-5-12(18)6-4-11/h3-6,10,13-16,19H,7-9H2,1-2H3/t13-,14-,15?,16+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50005576
PNG
((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50453638
PNG
(CHEMBL2112877)
Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC(C)C |TLB:9:7:5:3.2,THB:16:6:5:3.2|
Show InChI InChI=1S/C17H22INO2/c1-10(2)21-17(20)16-14(9-13-7-8-15(16)19-13)11-3-5-12(18)6-4-11/h3-6,10,13-16,19H,7-9H2,1-2H3/t13-,14-,15?,16+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50041282
PNG
((3S,8R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11?,12-,13?,14?/m1/s1
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National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50005576
PNG
((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1
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National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50012154
PNG
((3S,8R)-3-(4-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11?,12-,13?,14?/m1/s1
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National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50041282
PNG
((3S,8R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11?,12-,13?,14?/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50453639
PNG
(CHEMBL2112889)
Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:16:6:5:3.2|
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12-,13?,14+/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50453640
PNG
(CHEMBL2112860)
Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(CC)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:17:6:5:3.2|
Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3/t13-,14-,15?,16+/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2|
Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1
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National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50012154
PNG
((3S,8R)-3-(4-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11?,12-,13?,14?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
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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n/an/a 23n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50118185
PNG
((3S,8R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11|
Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?/m1/s1
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n/an/a 28n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50041281
PNG
((3S,8R)-3-Phenyl-8-aza-bicyclo[3.2.1]octane-2-carb...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccccc1)N2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C15H19NO2/c1-18-15(17)14-12(10-5-3-2-4-6-10)9-11-7-8-13(14)16-11/h2-6,11-14,16H,7-9H2,1H3/t11?,12-,13?,14?/m1/s1
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n/an/a 31n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50005576
PNG
((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1
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n/an/a 36n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50453640
PNG
(CHEMBL2112860)
Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(CC)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:17:6:5:3.2|
Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3/t13-,14-,15?,16+/m1/s1
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National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50118185
PNG
((3S,8R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11|
Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50006784
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
Show InChI InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17+/m1/s1
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n/an/a 67n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50012154
PNG
((3S,8R)-3-(4-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11?,12-,13?,14?/m1/s1
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n/an/a 69n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50041281
PNG
((3S,8R)-3-Phenyl-8-aza-bicyclo[3.2.1]octane-2-carb...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccccc1)N2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C15H19NO2/c1-18-15(17)14-12(10-5-3-2-4-6-10)9-11-7-8-13(14)16-11/h2-6,11-14,16H,7-9H2,1H3/t11?,12-,13?,14?/m1/s1
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n/an/a 85n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
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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National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50453640
PNG
(CHEMBL2112860)
Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(CC)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:17:6:5:3.2|
Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3/t13-,14-,15?,16+/m1/s1
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n/an/a 122n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50041285
PNG
((3S,8R)-3-Benzoyloxy-8-aza-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14?/m0/s1
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n/an/a 127n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50453638
PNG
(CHEMBL2112877)
Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC(C)C |TLB:9:7:5:3.2,THB:16:6:5:3.2|
Show InChI InChI=1S/C17H22INO2/c1-10(2)21-17(20)16-14(9-13-7-8-15(16)19-13)11-3-5-12(18)6-4-11/h3-6,10,13-16,19H,7-9H2,1-2H3/t13-,14-,15?,16+/m1/s1
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n/an/a 132n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50041285
PNG
((3S,8R)-3-Benzoyloxy-8-aza-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14?/m0/s1
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n/an/a 139n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50041281
PNG
((3S,8R)-3-Phenyl-8-aza-bicyclo[3.2.1]octane-2-carb...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccccc1)N2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C15H19NO2/c1-18-15(17)14-12(10-5-3-2-4-6-10)9-11-7-8-13(14)16-11/h2-6,11-14,16H,7-9H2,1H3/t11?,12-,13?,14?/m1/s1
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n/an/a 156n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50041285
PNG
((3S,8R)-3-Benzoyloxy-8-aza-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14?/m0/s1
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n/an/a 206n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50006784
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
Show InChI InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17+/m1/s1
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n/an/a 285n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2|
Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1
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n/an/a 759n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2|
Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1
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n/an/a 834n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
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



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
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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n/an/a 1.05E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
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 2.00E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		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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UniProtKB/TrEMBL

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PC sid
UniChem
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50118185
PNG
((3S,8R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11|
Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?/m1/s1
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UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/a 3.91E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter

J Med Chem 37: 1220-3 (1994)


BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%