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PubMed code 7830281

Compile Data Set for Download or QSAR

Found 237 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))		BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
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
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 1.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
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
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 2n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035725
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
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
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 2.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 3.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50033127
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3|
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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 5.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 5.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035726
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
Show InChI InChI=1S/C18H24ClNO2/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
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 6n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035752
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C21H22INO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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 6.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
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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 7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
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
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 7.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 8.40n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035746
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3
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 9.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50035725
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
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
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 13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ratio of Ki value towards Serotonin transporter to that of dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035751
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9|
Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3
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 15n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 23n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50035752
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C21H22INO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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 33n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 37n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 39n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50035725
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
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
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 41n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 50n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50035752
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C21H22INO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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 52n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50035751
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9|
Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3
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 73n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 101n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 112n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ratio of Ki value towards Serotonin transporter to that of dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50035726
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
Show InChI InChI=1S/C18H24ClNO2/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
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 129n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 161n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 173n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ratio of Ki value towards Serotonin transporter to that of dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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 241n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50033127
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3|
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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 242n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50035726
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
Show InChI InChI=1S/C18H24ClNO2/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
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 250n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50035746
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3
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 278n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50033127
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3|
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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 391n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50035751
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9|
Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3
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 917n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ratio of Ki value towards Serotonin transporter to that of dopamine transporter

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50035746
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3
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 1.54E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035734
PNG
(CHEMBL1643896 | RTI-229 | [3-(4-Iodo-phenyl)-8-met...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)N1CCCC1)N2C |r,TLB:24:23:7.8.6:2.3|
Show InChI InChI=1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035725
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
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
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n/an/a 0.430n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035747
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C18H22INO2/c1-20-13-6-9-16(20)17(18(21)22-14-7-8-14)15(10-13)11-2-4-12(19)5-3-11/h2-5,13-17H,6-10H2,1H3
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n/an/a 0.610n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035758
PNG
(CHEMBL339763 | [3-(4-Iodo-phenyl)-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C18H23IN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7|
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.790n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035764
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(C)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035765
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CON(C)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
Show InChI InChI=1S/C17H23ClN2O2/c1-19-13-8-9-15(19)16(17(21)20(2)22-3)14(10-13)11-4-6-12(18)7-5-11/h4-7,13-16H,8-10H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035743
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C18H22ClNO2/c1-20-13-6-9-16(20)17(18(21)22-14-7-8-14)15(10-13)11-2-4-12(19)5-3-11/h2-5,13-17H,6-10H2,1H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035731
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CON(C)C(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
Show InChI InChI=1S/C17H23IN2O2/c1-19-13-8-9-15(19)16(17(21)20(2)22-3)14(10-13)11-4-6-12(18)7-5-11/h4-7,13-16H,8-10H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
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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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
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
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035772
PNG
(CHEMBL3085512 | [3-(4-Chloro-phenyl)-8-methyl-8-az...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(Cl)cc1)C(=O)N1CCCC1)N2C |r,TLB:9:7:23:3.2,THB:16:6:23:3.2|
Show InChI InChI=1S/C19H25ClN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035740
PNG
(3-(4-Amino-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(N)c(I)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C16H21IN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50035727
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN(C)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:12:11:19:7.8,THB:3:5:19:7.8|
Show InChI InChI=1S/C17H23ClN2O/c1-19(2)17(21)16-14(11-4-6-12(18)7-5-11)10-13-8-9-15(16)20(13)3/h4-7,13-16H,8-10H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding

J Med Chem 38: 379-88 (1995)


BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%