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Compile Data Set for Download or QSAR

Found 986 hits with Last Name = 'boja' and Initial = 'jw'   
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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052170
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052176
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052152
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
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/t16-,18?,19?,20+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibition uptake of [2H]-Dopamine


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052153
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-oxazo...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18?,19?,20?,22-/m0/s1
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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052163
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17-,18?,19?,20+/m1/s1
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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)N2C
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)N2C
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
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)


Article DOI: 10.1021/jm00002a020
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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
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)


Article DOI: 10.1021/jm00002a020
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 COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)N2C
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)


Article DOI: 10.1021/jm00002a020
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
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)


Article DOI: 10.1021/jm00002a020
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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
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)


Article DOI: 10.1021/jm00002a020
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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
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)


Article DOI: 10.1021/jm00002a020
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
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)


Article DOI: 10.1021/jm00002a020
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
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)


Article DOI: 10.1021/jm00002a020
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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50055014
PNG
(7-(3,4-Dichloro-phenyl)-2,4,5,7-tetrahydro-3H-[1,3...)
Show SMILES OC1(N2CCCCN=C2c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H16Cl2N2O/c19-15-8-7-12(11-16(15)20)18(23)14-6-2-1-5-13(14)17-21-9-3-4-10-22(17)18/h1-2,5-8,11,23H,3-4,9-10H2
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n/an/a 0.260n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dopamine uptake at the dopamine transporter in rat striatal tissue


J Med Chem 39: 4935-41 (1997)


Article DOI: 10.1021/jm960288w
BindingDB Entry DOI: 10.7270/Q2ZK5FSR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453639
PNG
(CHEMBL2112889)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2
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)


Article DOI: 10.1021/jm00034a021
BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035734
PNG
(CHEMBL1643896 | RTI-229 | [3-(4-Iodo-phenyl)-8-met...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)N1CCCC1
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428l binding to Dopamine transporter


J Med Chem 35: 2497-500 (1992)


Article DOI: 10.1021/jm00091a019
BindingDB Entry DOI: 10.7270/Q2736RJC
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(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
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)


Article DOI: 10.1021/jm00034a021
BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052158
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(C)no1
Show InChI InChI=1S/C18H21ClN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3/t14-,15?,16?,18+/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50053650
PNG
(3-(4-Isopropenyl-phenyl)-8-aza-bicyclo[3.2.1]octan...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2
Show InChI InChI=1S/C18H23NO2/c1-11(2)12-4-6-13(7-5-12)15-10-14-8-9-16(19-14)17(15)18(20)21-3/h4-7,14-17,19H,1,8-10H2,2-3H3
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n/an/a 0.600n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to serotonin transporter in rat frontal cortex


J Med Chem 39: 4027-35 (1996)


Article DOI: 10.1021/jm960409s
BindingDB Entry DOI: 10.7270/Q22B8ZNT
More data for this
Ligand-Target Pair
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