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Compile Data Set for Download or QSAR

Found 178 hits Enz. Inhib. hit(s) with all data for entry = 50036108   
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))
BDBM50008039
PNG
(3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(O)=O |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
Show InChI InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12?,13+,14?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]mazindol binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


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

Curated by ChEMBL


Assay Description
Potency for the inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
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
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
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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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(cc1)N=[N+]=[N-])C(=O)OC)N2C |r,TLB:22:21:3.2:7.6.5,8:6:3.2:21,THB:17:5:3.2:21|
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
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
Inhibition of [3H]WIN-35065-2 binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039990
PNG
((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...)
Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
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/t13-,14+,15?,16?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005534
PNG
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
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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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50008039
PNG
(3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(O)=O |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
Show InChI InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12?,13+,14?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
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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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005565
PNG
(3-Hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CN1[C@@H]2CCC1C([C@@H](O)C2)C(O)=O |TLB:0:1:6.7.9:4.3|
Show InChI InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6?,7+,8?/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005534
PNG
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTCP binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039990
PNG
((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...)
Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
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/t13-,14+,15?,16?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]mazindol binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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n/an/a 7n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453093
PNG
(CHEMBL2373744)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(OC)cc1)C(=O)OC)N2C |r,TLB:21:20:3.2:7.6.5,8:6:3.2:20,THB:16:5:3.2:20|
Show InChI InChI=1S/C17H23NO3/c1-18-12-6-9-15(18)16(17(19)21-3)14(10-12)11-4-7-13(20-2)8-5-11/h4-5,7-8,12,14-16H,6,9-10H2,1-3H3/t12-,14-,15?,16+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005537
PNG
(3-Benzoyloxy-2-methoxycarbonyl-8,8-dimethyl-8-azon...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)[N+]2(C)C
Show InChI InChI=1S/C18H24NO4/c1-19(2)13-9-10-14(19)16(18(21)22-3)15(11-13)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3/q+1/t13-,14?,15+,16?/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTCP binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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n/an/a 9n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005559
PNG
(3-(4-Amino-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccc(N)cc1)C(O)=O |TLB:0:1:6.7.8:4.3|
Show InChI InChI=1S/C16H20N2O4/c1-18-11-6-7-12(18)14(15(19)20)13(8-11)22-16(21)9-2-4-10(17)5-3-9/h2-5,11-14H,6-8,17H2,1H3,(H,19,20)/t11-,12?,13+,14?/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005544
PNG
(8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)[N+]([O-])=O)N2C |TLB:21:20:4.10.9:6.7|
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453092
PNG
(CHEMBL2373745)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)OC)N2C |r,TLB:23:22:3.2:7.6.5,8:6:3.2:22,THB:18:5:3.2:22|
Show InChI InChI=1S/C17H20F3NO2/c1-21-12-7-8-14(21)15(16(22)23-2)13(9-12)10-3-5-11(6-4-10)17(18,19)20/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTCP binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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n/an/a 14n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005537
PNG
(3-Benzoyloxy-2-methoxycarbonyl-8,8-dimethyl-8-azon...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)[N+]2(C)C
Show InChI InChI=1S/C18H24NO4/c1-19(2)13-9-10-14(19)16(18(21)22-3)15(11-13)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3/q+1/t13-,14?,15+,16?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dopamine uptake at dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005556
PNG
(3-Benzoyloxy-8-benzyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 |TLB:21:20:4.10.9:6.7|
Show InChI InChI=1S/C23H25NO4/c1-27-23(26)21-19-13-12-18(24(19)15-16-8-4-2-5-9-16)14-20(21)28-22(25)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19?,20+,21?/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005534
PNG
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTCP binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005550
PNG
(8-Allyl-3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2CC=C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
Show InChI InChI=1S/C18H22FNO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h3-7,14-17H,1,8-11H2,2H3/t14?,15-,16?,17?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Potency for the inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


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

Curated by ChEMBL


Assay Description
Potency for the inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
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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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTCP binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(N)cc1)C(=O)OC)N2C |r,THB:15:5:19:3.2|
Show InChI InChI=1S/C16H22N2O2/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,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
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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n/an/a 27n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50024215
PNG
(2-[1-(2-(1H-Imidazol-4-yl)-1-{3-methyl-1-[(2-methy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C49H74N10O7/c1-11-33(6)41(44(62)53-28-35-20-15-16-22-51-35)58-45(63)40(32(4)5)52-29-37(24-31(2)3)55-42(60)39(26-36-27-50-30-54-36)56-43(61)38(25-34-18-13-12-14-19-34)57-46(64)49(10)21-17-23-59(49)47(65)66-48(7,8)9/h12-16,18-20,22,27,30-33,37-41,52H,11,17,21,23-26,28-29H2,1-10H3,(H,50,54)(H,53,62)(H,55,60)(H,56,61)(H,57,64)(H,58,63)/t33?,37?,38?,39?,40?,41?,49-/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005535
PNG
((1R,2R,3R,8R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)[C@@H]1[C@H]2CCC(C[C@H]1OC(=O)c1ccccc1)N2C |TLB:21:20:4.10.9:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13-,14-,15-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
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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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005548
PNG
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1
Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTCP binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005559
PNG
(3-(4-Amino-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccc(N)cc1)C(O)=O |TLB:0:1:6.7.8:4.3|
Show InChI InChI=1S/C16H20N2O4/c1-18-11-6-7-12(18)14(15(19)20)13(8-11)22-16(21)9-2-4-10(17)5-3-9/h2-5,11-14H,6-8,17H2,1H3,(H,19,20)/t11-,12?,13+,14?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dopamine uptake at dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005573
PNG
(3-(4-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-c...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(F)cc1)N2
Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12-,13?,14?/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
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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n/an/a 36n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50011397
PNG
(8-Methyl-3-(3-nitro-phenylcarbamoyloxy)-8-aza-bicy...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1cccc(c1)[N+]([O-])=O)N2C |TLB:25:24:4.10.9:6.7,11:10:24:6.7,THB:2:4:24:6.7|
Show InChI InChI=1S/C17H21N3O6/c1-19-11-6-7-13(19)15(16(21)25-2)14(9-11)26-17(22)18-10-4-3-5-12(8-10)20(23)24/h3-5,8,11,13-15H,6-7,9H2,1-2H3,(H,18,22)/t11-,13?,14+,15?/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005534
PNG
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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n/an/a 42n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005542
PNG
(3-(4-Fluoro-phenyl)-8-propyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CCCN1C2CCC1C([C@H](C2)c1ccc(F)cc1)C(=O)OC |TLB:18:8:3:6.5,11:9:3:6.5,THB:2:3:8.9.10:6.5|
Show InChI InChI=1S/C18H24FNO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h4-7,14-17H,3,8-11H2,1-2H3/t14?,15-,16?,17?/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dopamine uptake at dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005548
PNG
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1
Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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n/an/a 46n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453099
PNG
(CHEMBL2310855)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(C)=O)cc1)C(=O)OC)N2C |r,TLB:23:22:3.2:7.6.5,8:6:3.2:22,THB:18:5:3.2:22|
Show InChI InChI=1S/C18H24N2O3/c1-11(21)19-13-6-4-12(5-7-13)15-10-14-8-9-16(20(14)2)17(15)18(22)23-3/h4-7,14-17H,8-10H2,1-3H3,(H,19,21)/t14-,15-,16?,17+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Potency for the inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
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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n/an/a 65n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35065-2 binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
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