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Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'deschaux' and Initial = 'o'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50086344
PNG
(4-Naphthalen-2-yl-piperidine-3-carboxylic acid met...)
Show SMILES COC(=O)C1CNCC[C@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C17H19NO2/c1-20-17(19)16-11-18-9-8-15(16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-16,18H,8-9,11H2,1H3/t15-,16?/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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7.30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50084718
PNG
((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...)
Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3
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10.9n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50086344
PNG
(4-Naphthalen-2-yl-piperidine-3-carboxylic acid met...)
Show SMILES COC(=O)C1CNCC[C@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C17H19NO2/c1-20-17(19)16-11-18-9-8-15(16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-16,18H,8-9,11H2,1H3/t15-,16?/m0/s1
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30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084718
PNG
((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...)
Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3
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51n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DA Uptake at dopamine transporter in rat cortex was measured by liquid scintillation spectrometry


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50086340
PNG
(4-Biphenyl-4-yl-1-methyl-piperidine-3-carboxylic a...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-21-13-12-18(19(14-21)20(22)23-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-19H,12-14H2,1-2H3/t18-,19?/m1/s1
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62n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86208
PNG
(cis-CPCA, -)
Show SMILES CN1CCC([C@H](C1)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H16ClNO2/c1-15-7-6-11(12(8-15)13(16)17)9-2-4-10(14)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,16,17)/t11?,12-/m0/s1
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67n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 143-50 (2003)


Article DOI: 10.1124/jpet.102.046318
BindingDB Entry DOI: 10.7270/Q2R20ZZ8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50064497
PNG
((S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carb...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13?/m1/s1
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69n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50064497
PNG
((S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carb...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13?/m1/s1
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88n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50086344
PNG
(4-Naphthalen-2-yl-piperidine-3-carboxylic acid met...)
Show SMILES COC(=O)C1CNCC[C@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C17H19NO2/c1-20-17(19)16-11-18-9-8-15(16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-16,18H,8-9,11H2,1H3/t15-,16?/m0/s1
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90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM86206
PNG
(CAS_8268 | CPCA, + | NSC_8268)
Show SMILES CN1CCC([C@@H](C1)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H16ClNO2/c1-15-7-6-11(12(8-15)13(16)17)9-2-4-10(14)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,16,17)/t11?,12-/m1/s1
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90n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 143-50 (2003)


Article DOI: 10.1124/jpet.102.046318
BindingDB Entry DOI: 10.7270/Q2R20ZZ8
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM86208
PNG
(cis-CPCA, -)
Show SMILES CN1CCC([C@H](C1)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H16ClNO2/c1-15-7-6-11(12(8-15)13(16)17)9-2-4-10(14)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,16,17)/t11?,12-/m0/s1
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98n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 143-50 (2003)


Article DOI: 10.1124/jpet.102.046318
BindingDB Entry DOI: 10.7270/Q2R20ZZ8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50086345
PNG
(1-Methyl-4-naphthalen-1-yl-piperidine-3-carboxylic...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1cccc2ccccc12
Show InChI InChI=1S/C18H21NO2/c1-19-11-10-16(17(12-19)18(20)21-2)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-17H,10-12H2,1-2H3/t16-,17?/m1/s1
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101n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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108n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE Uptake in rat parietal/occipital cortex


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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108n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM86207
PNG
(CAS_50-36-2 | COCAINE | NSC_446220)
Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6|
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
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119n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 143-50 (2003)


Article DOI: 10.1124/jpet.102.046318
BindingDB Entry DOI: 10.7270/Q2R20ZZ8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50086341
PNG
(1-Methyl-4-(4-vinyl-phenyl)-piperidine-3-carboxyli...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(C=C)cc1
Show InChI InChI=1S/C16H21NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h4-8,14-15H,1,9-11H2,2-3H3/t14-,15?/m1/s1
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131n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50086341
PNG
(1-Methyl-4-(4-vinyl-phenyl)-piperidine-3-carboxyli...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(C=C)cc1
Show InChI InChI=1S/C16H21NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h4-8,14-15H,1,9-11H2,2-3H3/t14-,15?/m1/s1
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138n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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155n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT Uptake in rat mid brain.


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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155n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50086340
PNG
(4-Biphenyl-4-yl-1-methyl-piperidine-3-carboxylic a...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-21-13-12-18(19(14-21)20(22)23-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-19H,12-14H2,1-2H3/t18-,19?/m1/s1
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173n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50086341
PNG
(1-Methyl-4-(4-vinyl-phenyl)-piperidine-3-carboxyli...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(C=C)cc1
Show InChI InChI=1S/C16H21NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h4-8,14-15H,1,9-11H2,2-3H3/t14-,15?/m1/s1
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175n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50086339
PNG
(4-(4-Ethynyl-phenyl)-1-methyl-piperidine-3-carboxy...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)C#C
Show InChI InChI=1S/C16H19NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h1,5-8,14-15H,9-11H2,2-3H3/t14-,15?/m1/s1
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175n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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176n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86207
PNG
(CAS_50-36-2 | COCAINE | NSC_446220)
Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6|
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
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177n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 143-50 (2003)


Article DOI: 10.1124/jpet.102.046318
BindingDB Entry DOI: 10.7270/Q2R20ZZ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transporter


(Rattus norvegicus)
BDBM50084718
PNG
((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...)
Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3
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177n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for Inhibition of [3H]-NE Uptake in rat parietal/occipital cortex


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50086339
PNG
(4-(4-Ethynyl-phenyl)-1-methyl-piperidine-3-carboxy...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)C#C
Show InChI InChI=1S/C16H19NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h1,5-8,14-15H,9-11H2,2-3H3/t14-,15?/m1/s1
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187n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50086340
PNG
(4-Biphenyl-4-yl-1-methyl-piperidine-3-carboxylic a...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-21-13-12-18(19(14-21)20(22)23-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-19H,12-14H2,1-2H3/t18-,19?/m1/s1
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203n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
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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231n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding Affinity to Dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50086342
PNG
(4-(4-Ethyl-phenyl)-1-methyl-piperidine-3-carboxyli...)
Show SMILES CCc1ccc(cc1)[C@H]1CCN(C)CC1C(=O)OC
Show InChI InChI=1S/C16H23NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h5-8,14-15H,4,9-11H2,1-3H3/t14-,15?/m1/s1
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255n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
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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274n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DA Uptake was measured by liquid scintillation spectrometry


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86207
PNG
(CAS_50-36-2 | COCAINE | NSC_446220)
Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6|
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
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275n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 143-50 (2003)


Article DOI: 10.1124/jpet.102.046318
BindingDB Entry DOI: 10.7270/Q2R20ZZ8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86206
PNG
(CAS_8268 | CPCA, + | NSC_8268)
Show SMILES CN1CCC([C@@H](C1)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H16ClNO2/c1-15-7-6-11(12(8-15)13(16)17)9-2-4-10(14)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,16,17)/t11?,12-/m1/s1
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276n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 143-50 (2003)


Article DOI: 10.1124/jpet.102.046318
BindingDB Entry DOI: 10.7270/Q2R20ZZ8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50086345
PNG
(1-Methyl-4-naphthalen-1-yl-piperidine-3-carboxylic...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1cccc2ccccc12
Show InChI InChI=1S/C18H21NO2/c1-19-11-10-16(17(12-19)18(20)21-2)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-17H,10-12H2,1-2H3/t16-,17?/m1/s1
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281n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50086345
PNG
(1-Methyl-4-naphthalen-1-yl-piperidine-3-carboxylic...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1cccc2ccccc12
Show InChI InChI=1S/C18H21NO2/c1-19-11-10-16(17(12-19)18(20)21-2)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-17H,10-12H2,1-2H3/t16-,17?/m1/s1
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304n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50086338
PNG
(4-(4-Allyl-phenyl)-1-methyl-piperidine-3-carboxyli...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(CC=C)cc1
Show InChI InChI=1S/C17H23NO2/c1-4-5-13-6-8-14(9-7-13)15-10-11-18(2)12-16(15)17(19)20-3/h4,6-9,15-16H,1,5,10-12H2,2-3H3/t15-,16?/m1/s1
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309n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084716
PNG
((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...)
Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3
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360n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DA Uptake at Dopamine transporter in rat cortex was measured by liquid scintillation spectrometry


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50086339
PNG
(4-(4-Ethynyl-phenyl)-1-methyl-piperidine-3-carboxy...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)C#C
Show InChI InChI=1S/C16H19NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h1,5-8,14-15H,9-11H2,2-3H3/t14-,15?/m1/s1
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364n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50064497
PNG
((S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carb...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13?/m1/s1
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391n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
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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423n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084716
PNG
((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...)
Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3
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492n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding Affinity to cocaine site of Dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50086338
PNG
(4-(4-Allyl-phenyl)-1-methyl-piperidine-3-carboxyli...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(CC=C)cc1
Show InChI InChI=1S/C17H23NO2/c1-4-5-13-6-8-14(9-7-13)15-10-11-18(2)12-16(15)17(19)20-3/h4,6-9,15-16H,1,5,10-12H2,2-3H3/t15-,16?/m1/s1
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964n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50086338
PNG
(4-(4-Allyl-phenyl)-1-methyl-piperidine-3-carboxyli...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccc(CC=C)cc1
Show InChI InChI=1S/C17H23NO2/c1-4-5-13-6-8-14(9-7-13)15-10-11-18(2)12-16(15)17(19)20-3/h4,6-9,15-16H,1,5,10-12H2,2-3H3/t15-,16?/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50086342
PNG
(4-(4-Ethyl-phenyl)-1-methyl-piperidine-3-carboxyli...)
Show SMILES CCc1ccc(cc1)[C@H]1CCN(C)CC1C(=O)OC
Show InChI InChI=1S/C16H23NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h5-8,14-15H,4,9-11H2,1-3H3/t14-,15?/m1/s1
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>1.10E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50084716
PNG
((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...)
Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3
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1.63E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for Inhibition of [3H]-5-HT Uptake in rat mid brain.


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50086342
PNG
(4-(4-Ethyl-phenyl)-1-methyl-piperidine-3-carboxyli...)
Show SMILES CCc1ccc(cc1)[C@H]1CCN(C)CC1C(=O)OC
Show InChI InChI=1S/C16H23NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h5-8,14-15H,4,9-11H2,1-3H3/t14-,15?/m1/s1
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>1.70E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50084718
PNG
((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...)
Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3
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2.38E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for Inhibition of [3H]-5-HT Uptake in rat mid brain.


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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>2.50E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


J Med Chem 43: 1215-22 (2000)


BindingDB Entry DOI: 10.7270/Q2BP03HK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084722
PNG
((4-Hydroxy-1-methyl-4-phenyl-piperidin-3-yl)-pheny...)
Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-20-13-12-19(22,16-10-6-3-7-11-16)17(14-20)18(21)15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3
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2.59E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DA Uptake at Dopamine transporter in rat cortex was measured by liquid scintillation spectrometry


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50084720
PNG
((2,4-Dichloro-phenyl)-[4-(2,4-dichloro-phenyl)-4-h...)
Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,14-5-3-12(21)9-17(14)23)15(10-24)18(25)13-4-2-11(20)8-16(13)22/h2-5,8-9,15,26H,6-7,10H2,1H3
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3.65E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .


J Med Chem 43: 351-60 (2000)


BindingDB Entry DOI: 10.7270/Q2ST7P39
More data for this
Ligand-Target Pair
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