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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50036449   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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0.0600n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048558
PNG
(8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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0.110n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048561
PNG
(8-(2-Fluoro-ethyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:2:4:18:6.7|
Show InChI InChI=1S/C17H21FINO2/c1-22-17(21)16-14(11-2-4-12(19)5-3-11)10-13-6-7-15(16)20(13)9-8-18/h2-5,13-16H,6-10H2,1H3
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0.140n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048566
PNG
(8-(3-Chloro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCl |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23ClINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048563
PNG
(8-(3-Bromo-propyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCBr |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23BrINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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0.350n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
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 |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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0.460n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50450533
PNG
(CHEMBL2112550)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCN1C(=O)c2ccccc2C1=O |r,THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C26H27IN2O4/c1-33-26(32)23-21(16-7-9-17(27)10-8-16)15-18-11-12-22(23)28(18)13-4-14-29-24(30)19-5-2-3-6-20(19)25(29)31/h2-3,5-10,18,21-23H,4,11-15H2,1H3/t18?,21-,22?,23+/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048560
PNG
(3-(4-Iodo-phenyl)-8-methoxycarbonylmethyl-8-aza-bi...)
Show SMILES COC(=O)CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC |TLB:20:10:5:8.7|
Show InChI InChI=1S/C18H22INO4/c1-23-16(21)10-20-13-7-8-15(20)17(18(22)24-2)14(9-13)11-3-5-12(19)6-4-11/h3-6,13-15,17H,7-10H2,1-2H3
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0.810n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048569
PNG
(8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |THB:4:6:20:8.9|
Show InChI InChI=1S/C20H27FINO2/c1-13(2)25-20(24)19-17(14-4-6-15(22)7-5-14)12-16-8-9-18(19)23(16)11-3-10-21/h4-7,13,16-19H,3,8-12H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048567
PNG
(8-Cyclopropylmethyl-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC1CC1 |THB:2:4:18:6.7|
Show InChI InChI=1S/C19H24INO2/c1-23-19(22)18-16(13-4-6-14(20)7-5-13)10-15-8-9-17(18)21(15)11-12-2-3-12/h4-7,12,15-18H,2-3,8-11H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
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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1.40n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048564
PNG
(8-(2,2-Dimethoxy-ethyl)-3-(4-iodo-phenyl)-8-aza-bi...)
Show SMILES COC(CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC)OC |TLB:19:9:4:7.6|
Show InChI InChI=1S/C19H26INO4/c1-23-17(24-2)11-21-14-8-9-16(21)18(19(22)25-3)15(10-14)12-4-6-13(20)7-5-12/h4-7,14-18H,8-11H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048565
PNG
(8-(3-Hydroxy-propyl)-3-(4-iodo-phenyl)-8-aza-bicyc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCO |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H24INO3/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)20(14)9-2-10-21/h3-6,14-17,21H,2,7-11H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048563
PNG
(8-(3-Bromo-propyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCBr |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23BrINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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2.60n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
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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2.80n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048566
PNG
(8-(3-Chloro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCl |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23ClINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048558
PNG
(8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048561
PNG
(8-(2-Fluoro-ethyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:2:4:18:6.7|
Show InChI InChI=1S/C17H21FINO2/c1-22-17(21)16-14(11-2-4-12(19)5-3-11)10-13-6-7-15(16)20(13)9-8-18/h2-5,13-16H,6-10H2,1H3
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4n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048567
PNG
(8-Cyclopropylmethyl-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC1CC1 |THB:2:4:18:6.7|
Show InChI InChI=1S/C19H24INO2/c1-23-19(22)18-16(13-4-6-14(20)7-5-13)10-15-8-9-17(18)21(15)11-12-2-3-12/h4-7,12,15-18H,2-3,8-11H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048557
PNG
(8-(2-Fluoro-ethyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:4:6:20:8.9|
Show InChI InChI=1S/C19H25FINO2/c1-12(2)24-19(23)18-16(13-3-5-14(21)6-4-13)11-15-7-8-17(18)22(15)10-9-20/h3-6,12,15-18H,7-11H2,1-2H3
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4.40n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048565
PNG
(8-(3-Hydroxy-propyl)-3-(4-iodo-phenyl)-8-aza-bicyc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCO |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H24INO3/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)20(14)9-2-10-21/h3-6,14-17,21H,2,7-11H2,1H3
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5.40n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50454298
PNG
(CHEMBL2112890)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CC(=O)N(C)C |r,THB:2:4:18:6.7|
Show InChI InChI=1S/C19H25IN2O3/c1-21(2)17(23)11-22-14-8-9-16(22)18(19(24)25-3)15(10-14)12-4-6-13(20)7-5-12/h4-7,14-16,18H,8-11H2,1-3H3/t14?,15-,16?,18+/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048564
PNG
(8-(2,2-Dimethoxy-ethyl)-3-(4-iodo-phenyl)-8-aza-bi...)
Show SMILES COC(CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC)OC |TLB:19:9:4:7.6|
Show InChI InChI=1S/C19H26INO4/c1-23-17(24-2)11-21-14-8-9-16(21)18(19(22)25-3)15(10-14)12-4-6-13(20)7-5-12/h4-7,14-18H,8-11H2,1-3H3
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6.80n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048572
PNG
(3-(4-Iodo-phenyl)-8-(3-iodo-propyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCI |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23I2NO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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8.80n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50450533
PNG
(CHEMBL2112550)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCN1C(=O)c2ccccc2C1=O |r,THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C26H27IN2O4/c1-33-26(32)23-21(16-7-9-17(27)10-8-16)15-18-11-12-22(23)28(18)13-4-14-29-24(30)19-5-2-3-6-20(19)25(29)31/h2-3,5-10,18,21-23H,4,11-15H2,1H3/t18?,21-,22?,23+/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048568
PNG
(8-(2,2-Difluoro-ethyl)-3-(4-iodo-phenyl)-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC(F)F |THB:2:4:18:6.7|
Show InChI InChI=1S/C17H20F2INO2/c1-23-17(22)16-13(10-2-4-11(20)5-3-10)8-12-6-7-14(16)21(12)9-15(18)19/h2-5,12-16H,6-9H2,1H3
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9.60n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048560
PNG
(3-(4-Iodo-phenyl)-8-methoxycarbonylmethyl-8-aza-bi...)
Show SMILES COC(=O)CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC |TLB:20:10:5:8.7|
Show InChI InChI=1S/C18H22INO4/c1-23-16(21)10-20-13-7-8-15(20)17(18(22)24-2)14(9-13)11-3-5-12(19)6-4-11/h3-6,13-15,17H,7-10H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454298
PNG
(CHEMBL2112890)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CC(=O)N(C)C |r,THB:2:4:18:6.7|
Show InChI InChI=1S/C19H25IN2O3/c1-21(2)17(23)11-22-14-8-9-16(22)18(19(24)25-3)15(10-14)12-4-6-13(20)7-5-12/h4-7,14-16,18H,8-11H2,1-3H3/t14?,15-,16?,18+/m1/s1
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12n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
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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15n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048568
PNG
(8-(2,2-Difluoro-ethyl)-3-(4-iodo-phenyl)-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC(F)F |THB:2:4:18:6.7|
Show InChI InChI=1S/C17H20F2INO2/c1-23-17(22)16-13(10-2-4-11(20)5-3-10)8-12-6-7-14(16)21(12)9-15(18)19/h2-5,12-16H,6-9H2,1H3
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15n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048571
PNG
(3-(4-Iodo-phenyl)-8-(3-methanesulfonyloxy-propyl)-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCOS(C)(=O)=O |THB:2:4:18:6.7|
Show InChI InChI=1S/C19H26INO5S/c1-25-19(22)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)21(15)10-3-11-26-27(2,23)24/h4-7,15-18H,3,8-12H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048557
PNG
(8-(2-Fluoro-ethyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:4:6:20:8.9|
Show InChI InChI=1S/C19H25FINO2/c1-12(2)24-19(23)18-16(13-3-5-14(21)6-4-13)11-15-7-8-17(18)22(15)10-9-20/h3-6,12,15-18H,7-11H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50048560
PNG
(3-(4-Iodo-phenyl)-8-methoxycarbonylmethyl-8-aza-bi...)
Show SMILES COC(=O)CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC |TLB:20:10:5:8.7|
Show InChI InChI=1S/C18H22INO4/c1-23-16(21)10-20-13-7-8-15(20)17(18(22)24-2)14(9-13)11-3-5-12(19)6-4-11/h3-6,13-15,17H,7-10H2,1-2H3
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29n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048571
PNG
(3-(4-Iodo-phenyl)-8-(3-methanesulfonyloxy-propyl)-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCOS(C)(=O)=O |THB:2:4:18:6.7|
Show InChI InChI=1S/C19H26INO5S/c1-25-19(22)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)21(15)10-3-11-26-27(2,23)24/h4-7,15-18H,3,8-12H2,1-2H3
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36n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048572
PNG
(3-(4-Iodo-phenyl)-8-(3-iodo-propyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCI |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23I2NO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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39n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048569
PNG
(8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |THB:4:6:20:8.9|
Show InChI InChI=1S/C20H27FINO2/c1-13(2)25-20(24)19-17(14-4-6-15(22)7-5-14)12-16-8-9-18(19)23(16)11-3-10-21/h4-7,13,16-19H,3,8-12H2,1-2H3
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49n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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53n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50048558
PNG
(8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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63n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50450533
PNG
(CHEMBL2112550)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCN1C(=O)c2ccccc2C1=O |r,THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C26H27IN2O4/c1-33-26(32)23-21(16-7-9-17(27)10-8-16)15-18-11-12-22(23)28(18)13-4-14-29-24(30)19-5-2-3-6-20(19)25(29)31/h2-3,5-10,18,21-23H,4,11-15H2,1H3/t18?,21-,22?,23+/m1/s1
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74n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50048561
PNG
(8-(2-Fluoro-ethyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:2:4:18:6.7|
Show InChI InChI=1S/C17H21FINO2/c1-22-17(21)16-14(11-2-4-12(19)5-3-11)10-13-6-7-15(16)20(13)9-8-18/h2-5,13-16H,6-10H2,1H3
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93n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50048566
PNG
(8-(3-Chloro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCl |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23ClINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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96n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048559
PNG
(3-(4-Iodo-phenyl)-8-isobutyryl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C(=O)C(C)C |THB:2:4:18:6.7|
Show InChI InChI=1S/C19H24INO3/c1-11(2)18(22)21-14-8-9-16(21)17(19(23)24-3)15(10-14)12-4-6-13(20)7-5-12/h4-7,11,14-17H,8-10H2,1-3H3
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102n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50048564
PNG
(8-(2,2-Dimethoxy-ethyl)-3-(4-iodo-phenyl)-8-aza-bi...)
Show SMILES COC(CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC)OC |TLB:19:9:4:7.6|
Show InChI InChI=1S/C19H26INO4/c1-23-17(24-2)11-21-14-8-9-16(21)18(19(22)25-3)15(10-14)12-4-6-13(20)7-5-12/h4-7,14-18H,8-11H2,1-3H3
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110n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50048563
PNG
(8-(3-Bromo-propyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCBr |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H23BrINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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164n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
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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181n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50048567
PNG
(8-Cyclopropylmethyl-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC1CC1 |THB:2:4:18:6.7|
Show InChI InChI=1S/C19H24INO2/c1-23-19(22)18-16(13-4-6-14(20)7-5-13)10-15-8-9-17(18)21(15)11-12-2-3-12/h4-7,12,15-18H,2-3,8-11H2,1H3
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198n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50048565
PNG
(8-(3-Hydroxy-propyl)-3-(4-iodo-phenyl)-8-aza-bicyc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCO |THB:2:4:18:6.7|
Show InChI InChI=1S/C18H24INO3/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)20(14)9-2-10-21/h3-6,14-17,21H,2,7-11H2,1H3
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217n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
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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350n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50454298
PNG
(CHEMBL2112890)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CC(=O)N(C)C |r,THB:2:4:18:6.7|
Show InChI InChI=1S/C19H25IN2O3/c1-21(2)17(23)11-22-14-8-9-16(22)18(19(24)25-3)15(10-14)12-4-6-13(20)7-5-12/h4-7,14-16,18H,8-11H2,1-3H3/t14?,15-,16?,18+/m1/s1
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522n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
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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635n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
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