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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'tella' and Initial = 'sr'   
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
Transporter


(Rattus norvegicus)
BDBM50115557
PNG
(4-(4-Chloro-phenyl)-piperidine-3-carboxylic acid m...)
Show SMILES COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-17-13(16)12-8-15-7-6-11(12)9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3/t11-,12?/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
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)
BDBM50115561
PNG
(4-(4-Chloro-phenyl)-3-(3-methyl-[1,2,4]oxadiazol-5...)
Show SMILES Cc1noc(n1)C1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H16ClN3O/c1-9-17-14(19-18-9)13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-5,12-13,16H,6-8H2,1H3/t12-,13?/m1/s1
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34n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
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 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
Transporter


(Rattus norvegicus)
BDBM50115567
PNG
(CHEMBL321454 | [4-(4-Chloro-phenyl)-piperidin-3-yl...)
Show SMILES OCC1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10?,12-/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 high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
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
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 high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
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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108n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
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))
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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146n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
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 high affinity uptake of [3H]5-HT by serotonin transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin 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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155n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from serotonin transporter of rat brain


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
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 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)
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50115555
PNG
(4-(4-Chloro-phenyl)-1-methyl-3-(3-methyl-[1,2,4]ox...)
Show SMILES CN1CC[C@@H](C(C1)c1nc(C)no1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3O/c1-10-17-15(20-18-10)14-9-19(2)8-7-13(14)11-3-5-12(16)6-4-11/h3-6,13-14H,7-9H2,1-2H3/t13-,14?/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 high affinity uptake of [3H]-DA by dopamine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50102935
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-(3-methyl-[...)
Show SMILES CN1CC[C@@H]([C@H](C1)c1nc(C)no1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3O/c1-10-17-15(20-18-10)14-9-19(2)8-7-13(14)11-3-5-12(16)6-4-11/h3-6,13-14H,7-9H2,1-2H3/t13-,14+/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 high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50115561
PNG
(4-(4-Chloro-phenyl)-3-(3-methyl-[1,2,4]oxadiazol-5...)
Show SMILES Cc1noc(n1)C1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H16ClN3O/c1-9-17-14(19-18-9)13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-5,12-13,16H,6-8H2,1H3/t12-,13?/m1/s1
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189n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
373 Ability to inhibit high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in dopamine transporter


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50064494
PNG
(CHEMBL61776 | [(S)-4-(4-Chloro-phenyl)-1-methyl-pi...)
Show SMILES CN1CC[C@@H](C(CO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11?,13-/m1/s1
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198n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50102935
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-(3-methyl-[...)
Show SMILES CN1CC[C@@H]([C@H](C1)c1nc(C)no1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3O/c1-10-17-15(20-18-10)14-9-19(2)8-7-13(14)11-3-5-12(16)6-4-11/h3-6,13-14H,7-9H2,1-2H3/t13-,14+/m1/s1
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201n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
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 dopamine transporter


(Rattus norvegicus (rat))
BDBM50099288
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@H]1CN(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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233n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50115567
PNG
(CHEMBL321454 | [4-(4-Chloro-phenyl)-piperidin-3-yl...)
Show SMILES OCC1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10?,12-/m1/s1
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239n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]5-HT by serotonin transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50099288
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@H]1CN(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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252n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50115555
PNG
(4-(4-Chloro-phenyl)-1-methyl-3-(3-methyl-[1,2,4]ox...)
Show SMILES CN1CC[C@@H](C(C1)c1nc(C)no1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3O/c1-10-17-15(20-18-10)14-9-19(2)8-7-13(14)11-3-5-12(16)6-4-11/h3-6,13-14H,7-9H2,1-2H3/t13-,14?/m1/s1
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256n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50102935
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-(3-methyl-[...)
Show SMILES CN1CC[C@@H]([C@H](C1)c1nc(C)no1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3O/c1-10-17-15(20-18-10)14-9-19(2)8-7-13(14)11-3-5-12(16)6-4-11/h3-6,13-14H,7-9H2,1-2H3/t13-,14+/m1/s1
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256n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
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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259n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
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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259n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]-DA by dopamine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50115557
PNG
(4-(4-Chloro-phenyl)-piperidine-3-carboxylic acid m...)
Show SMILES COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-17-13(16)12-8-15-7-6-11(12)9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3/t11-,12?/m1/s1
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279n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]-DA by dopamine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099288
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@H]1CN(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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315n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50115560
PNG
(4-(4-Chloro-phenyl)-1-(3-fluoro-propyl)-piperidine...)
Show SMILES COC(=O)C1CN(CCCF)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H21ClFNO2/c1-21-16(20)15-11-19(9-2-8-18)10-7-14(15)12-3-5-13(17)6-4-12/h3-6,14-15H,2,7-11H2,1H3/t14-,15?/m1/s1
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335n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50115561
PNG
(4-(4-Chloro-phenyl)-3-(3-methyl-[1,2,4]oxadiazol-5...)
Show SMILES Cc1noc(n1)C1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H16ClN3O/c1-9-17-14(19-18-9)13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-5,12-13,16H,6-8H2,1H3/t12-,13?/m1/s1
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373n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]5-HT by serotonin transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50102946
PNG
((3R,4S)-4-(4-Chloro-phenyl)-3-(3-isopropyl-[1,2,4]...)
Show SMILES CC(C)c1noc(n1)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C17H22ClN3O/c1-11(2)16-19-17(22-20-16)15-10-21(3)9-8-14(15)12-4-6-13(18)7-5-12/h4-7,11,14-15H,8-10H2,1-3H3/t14-,15+/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 high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50099296
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@@H]1CN(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+/m0/s1
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396n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50115557
PNG
(4-(4-Chloro-phenyl)-piperidine-3-carboxylic acid m...)
Show SMILES COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-17-13(16)12-8-15-7-6-11(12)9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3/t11-,12?/m1/s1
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434n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]5-HT by serotonin transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50115565
PNG
(4-(4-Chloro-phenyl)-1-(3-chloro-propyl)-piperidine...)
Show SMILES COC(=O)C1CN(CCCCl)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H21Cl2NO2/c1-21-16(20)15-11-19(9-2-8-17)10-7-14(15)12-3-5-13(18)6-4-12/h3-6,14-15H,2,7-11H2,1H3/t14-,15?/m1/s1
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441n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50115566
PNG
(4-(4-Chloro-phenyl)-1-(3-phenyl-propyl)-piperidine...)
Show SMILES COC(=O)C1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClNO2/c1-26-22(25)21-16-24(14-5-8-17-6-3-2-4-7-17)15-13-20(21)18-9-11-19(23)12-10-18/h2-4,6-7,9-12,20-21H,5,8,13-16H2,1H3/t20-,21?/m1/s1
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488n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
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))
BDBM50102946
PNG
((3R,4S)-4-(4-Chloro-phenyl)-3-(3-isopropyl-[1,2,4]...)
Show SMILES CC(C)c1noc(n1)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C17H22ClN3O/c1-11(2)16-19-17(22-20-16)15-10-21(3)9-8-14(15)12-4-6-13(18)7-5-12/h4-7,11,14-15H,8-10H2,1-3H3/t14-,15+/m1/s1
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494n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50102940
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-(3-phenyl-[...)
Show SMILES CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3O/c1-24-12-11-17(14-7-9-16(21)10-8-14)18(13-24)20-22-19(23-25-20)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/t17-,18+/m1/s1
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497n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50064494
PNG
(CHEMBL61776 | [(S)-4-(4-Chloro-phenyl)-1-methyl-pi...)
Show SMILES CN1CC[C@@H](C(CO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11?,13-/m1/s1
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497n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]-DA by dopamine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50102946
PNG
((3R,4S)-4-(4-Chloro-phenyl)-3-(3-isopropyl-[1,2,4]...)
Show SMILES CC(C)c1noc(n1)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C17H22ClN3O/c1-11(2)16-19-17(22-20-16)15-10-21(3)9-8-14(15)12-4-6-13(18)7-5-12/h4-7,11,14-15H,8-10H2,1-3H3/t14-,15+/m1/s1
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778n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain


Bioorg Med Chem Lett 11: 2079-83 (2001)


BindingDB Entry DOI: 10.7270/Q28P6114
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50115566
PNG
(4-(4-Chloro-phenyl)-1-(3-phenyl-propyl)-piperidine...)
Show SMILES COC(=O)C1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClNO2/c1-26-22(25)21-16-24(14-5-8-17-6-3-2-4-7-17)15-13-20(21)18-9-11-19(23)12-10-18/h2-4,6-7,9-12,20-21H,5,8,13-16H2,1H3/t20-,21?/m1/s1
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810n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]-DA by dopamine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
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