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Compile Data Set for Download or QSAR

Found 482 hits with Last Name = 'tamiz' and Initial = 'ap'   
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))
BDBM50095128
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H40Cl2N4O2/c1-39-17-15-29(25-7-11-27(35)12-8-25)31(21-39)33(41)37-19-23-3-5-24(6-4-23)20-38-34(42)32-22-40(2)18-16-30(32)26-9-13-28(36)14-10-26/h3-14,29-32H,15-22H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2741-3 (2000)


BindingDB Entry DOI: 10.7270/Q2KK9B1R
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083623
PNG
((3R,8R)-8-Phenethyl-2-phenyl-3-p-tolyl-8-aza-bicyc...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccccc1)N2CCc1ccccc1 |TLB:4:7:20:11.10,THB:14:13:20:11.10|
Show InChI InChI=1S/C28H31N/c1-21-12-14-23(15-13-21)26-20-25-16-17-27(28(26)24-10-6-3-7-11-24)29(25)19-18-22-8-4-2-5-9-22/h2-15,25-28H,16-20H2,1H3/t25?,26-,27?,28?/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50095137
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50095137
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2741-3 (2000)


BindingDB Entry DOI: 10.7270/Q2KK9B1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083617
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-phenethyl-8-az...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Show InChI InChI=1S/C27H27F2N/c28-22-10-6-20(7-11-22)25-18-24-14-15-26(27(25)21-8-12-23(29)13-9-21)30(24)17-16-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2/t24?,25-,26?,27?/m0/s1
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>1.30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083623
PNG
((3R,8R)-8-Phenethyl-2-phenyl-3-p-tolyl-8-aza-bicyc...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccccc1)N2CCc1ccccc1 |TLB:4:7:20:11.10,THB:14:13:20:11.10|
Show InChI InChI=1S/C28H31N/c1-21-12-14-23(15-13-21)26-20-25-16-17-27(28(26)24-10-6-3-7-11-24)29(25)19-18-22-8-4-2-5-9-22/h2-15,25-28H,16-20H2,1H3/t25?,26-,27?,28?/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099300
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
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 dopamine transporter


(Rattus norvegicus (rat))
BDBM50068471
PNG
((2R,8S)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3,0:1:7.6.8:4.3|
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19?,20?,21-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068471
PNG
((2R,8S)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3,0:1:7.6.8:4.3|
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19?,20?,21-/m0/s1
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6n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099299
PNG
(3N-{5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m1/s1
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7n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
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 into rat synaptosomes by Serotonin transporter


Bioorg Med Chem Lett 10: 2741-3 (2000)


BindingDB Entry DOI: 10.7270/Q2KK9B1R
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


(Rattus norvegicus (rat))
BDBM50099292
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083617
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-phenethyl-8-az...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Show InChI InChI=1S/C27H27F2N/c28-22-10-6-20(7-11-22)25-18-24-14-15-26(27(25)21-8-12-23(29)13-9-21)30(24)17-16-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2/t24?,25-,26?,27?/m0/s1
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10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083619
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C([C@@H](C2)c1ccc(F)cc1)c1ccc(F)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C20H21F2N/c1-23-17-10-11-19(23)20(14-4-8-16(22)9-5-14)18(12-17)13-2-6-15(21)7-3-13/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m0/s1
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14n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099292
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m1/s1
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14n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083621
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-(3-phenyl-prop...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Show InChI InChI=1S/C28H29F2N/c29-23-12-8-21(9-13-23)26-19-25-16-17-27(28(26)22-10-14-24(30)15-11-22)31(25)18-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-15,25-28H,4,7,16-19H2/t25?,26-,27?,28?/m0/s1
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16n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083618
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)C1c1ccc(F)cc1 |TLB:4:7:13:11.10,THB:15:14:13:11.10|
Show InChI InChI=1S/C19H19F2N/c20-14-5-1-12(2-6-14)17-11-16-9-10-18(22-16)19(17)13-3-7-15(21)8-4-13/h1-8,16-19,22H,9-11H2/t16?,17-,18?,19?/m0/s1
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17n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083624
PNG
((3R,8R)-8-[2-(4-Fluoro-phenoxy)-ethyl]-2,3-bis-(4-...)
Show SMILES Fc1ccc(OCCN2C3CCC2C([C@@H](C3)c2ccc(F)cc2)c2ccc(F)cc2)cc1 |TLB:23:13:8:11.10,THB:16:14:8:11.10|
Show InChI InChI=1S/C27H26F3NO/c28-20-5-1-18(2-6-20)25-17-23-11-14-26(27(25)19-3-7-21(29)8-4-19)31(23)15-16-32-24-12-9-22(30)10-13-24/h1-10,12-13,23,25-27H,11,14-17H2/t23?,25-,26?,27?/m0/s1
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22n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099294
PNG
(5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H40Cl2N2O4/c1-34-16-14-26(22-6-10-24(32)11-7-22)28(20-34)30(36)38-18-4-3-5-19-39-31(37)29-21-35(2)17-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3/t26-,27-,28+,29+/m1/s1
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25n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083617
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-phenethyl-8-az...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Show InChI InChI=1S/C27H27F2N/c28-22-10-6-20(7-11-22)25-18-24-14-15-26(27(25)21-8-12-23(29)13-9-21)30(24)17-16-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2/t24?,25-,26?,27?/m0/s1
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26n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083624
PNG
((3R,8R)-8-[2-(4-Fluoro-phenoxy)-ethyl]-2,3-bis-(4-...)
Show SMILES Fc1ccc(OCCN2C3CCC2C([C@@H](C3)c2ccc(F)cc2)c2ccc(F)cc2)cc1 |TLB:23:13:8:11.10,THB:16:14:8:11.10|
Show InChI InChI=1S/C27H26F3NO/c28-20-5-1-18(2-6-20)25-17-23-11-14-26(27(25)19-3-7-21(29)8-4-19)31(23)15-16-32-24-12-9-22(30)10-13-24/h1-10,12-13,23,25-27H,11,14-17H2/t23?,25-,26?,27?/m0/s1
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27n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50095133
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H30ClN3O2/c1-32-16-15-25(22-11-13-24(29)14-12-22)26(19-32)28(34)31-18-21-9-7-20(8-10-21)17-30-27(33)23-5-3-2-4-6-23/h2-14,25-26H,15-19H2,1H3,(H,30,33)(H,31,34)/t25-,26+/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]-5-HT uptake into rat synaptosomes by Serotonin transporter


Bioorg Med Chem Lett 10: 2741-3 (2000)


BindingDB Entry DOI: 10.7270/Q2KK9B1R
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083619
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C([C@@H](C2)c1ccc(F)cc1)c1ccc(F)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C20H21F2N/c1-23-17-10-11-19(23)20(14-4-8-16(22)9-5-14)18(12-17)13-2-6-15(21)7-3-13/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m0/s1
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31n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50095131
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H29Cl2N3O2/c1-33-14-13-25(21-9-11-23(29)12-10-21)26(18-33)28(35)32-17-20-7-5-19(6-8-20)16-31-27(34)22-3-2-4-24(30)15-22/h2-12,15,25-26H,13-14,16-18H2,1H3,(H,31,34)(H,32,35)/t25-,26+/m0/s1
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33n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2741-3 (2000)


BindingDB Entry DOI: 10.7270/Q2KK9B1R
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099293
PNG
(3N-{4-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H40Cl2N4O2/c1-35-17-13-25(21-5-9-23(31)10-6-21)27(19-35)29(37)33-15-3-4-16-34-30(38)28-20-36(2)18-14-26(28)22-7-11-24(32)12-8-22/h5-12,25-28H,3-4,13-20H2,1-2H3,(H,33,37)(H,34,38)/t25-,26-,27+,28+/m1/s1
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33n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50095136
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(c2)C(F)(F)F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClF3N3O2/c1-36-14-13-25(21-9-11-24(30)12-10-21)26(18-36)28(38)35-17-20-7-5-19(6-8-20)16-34-27(37)22-3-2-4-23(15-22)29(31,32)33/h2-12,15,25-26H,13-14,16-18H2,1H3,(H,34,37)(H,35,38)/t25-,26+/m0/s1
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35n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2741-3 (2000)


BindingDB Entry DOI: 10.7270/Q2KK9B1R
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099299
PNG
(3N-{5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m1/s1
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39n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099297
PNG
(3N-{7-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H46Cl2N4O2/c1-38-20-16-28(24-8-12-26(34)13-9-24)30(22-38)32(40)36-18-6-4-3-5-7-19-37-33(41)31-23-39(2)21-17-29(31)25-10-14-27(35)15-11-25/h8-15,28-31H,3-7,16-23H2,1-2H3,(H,36,40)(H,37,41)/t28-,29-,30+,31+/m1/s1
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40n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083618
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)C1c1ccc(F)cc1 |TLB:4:7:13:11.10,THB:15:14:13:11.10|
Show InChI InChI=1S/C19H19F2N/c20-14-5-1-12(2-6-14)17-11-16-9-10-18(22-16)19(17)13-3-7-15(21)8-4-13/h1-8,16-19,22H,9-11H2/t16?,17-,18?,19?/m0/s1
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41n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50090495
PNG
((R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCCCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
Show InChI InChI=1S/C22H25ClN2O/c23-19-10-8-18(9-11-19)20-12-13-25-15-21(20)22(16-25)24-26-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,20-21H,4,7,12-16H2/b24-22+/t20-,21?/m0/s1
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41n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083621
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-(3-phenyl-prop...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Show InChI InChI=1S/C28H29F2N/c29-23-12-8-21(9-13-23)26-19-25-16-17-27(28(26)22-10-14-24(30)15-11-22)31(25)18-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-15,25-28H,4,7,16-19H2/t25?,26-,27?,28?/m0/s1
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43n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083618
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)C1c1ccc(F)cc1 |TLB:4:7:13:11.10,THB:15:14:13:11.10|
Show InChI InChI=1S/C19H19F2N/c20-14-5-1-12(2-6-14)17-11-16-9-10-18(22-16)19(17)13-3-7-15(21)8-4-13/h1-8,16-19,22H,9-11H2/t16?,17-,18?,19?/m0/s1
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49n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50090499
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CCC(C(C1)C(=O)OCCCCCc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H30ClNO2/c1-26-16-15-22(20-11-13-21(25)14-12-20)23(18-26)24(27)28-17-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23H,3,6-7,10,15-18H2,1H3
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52n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]- Mazindol binding to dopamine transporter of rat striatal membrane.


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50090495
PNG
((R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCCCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
Show InChI InChI=1S/C22H25ClN2O/c23-19-10-8-18(9-11-19)20-12-13-25-15-21(20)22(16-25)24-26-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,20-21H,4,7,12-16H2/b24-22+/t20-,21?/m0/s1
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53n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT binding to serotonin transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50090499
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CCC(C(C1)C(=O)OCCCCCc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H30ClNO2/c1-26-16-15-22(20-11-13-21(25)14-12-20)23(18-26)24(27)28-17-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23H,3,6-7,10,15-18H2,1H3
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53n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099294
PNG
(5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H40Cl2N2O4/c1-34-16-14-26(22-6-10-24(32)11-7-22)28(20-34)30(36)38-18-4-3-5-19-39-31(37)29-21-35(2)17-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3/t26-,27-,28+,29+/m1/s1
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56n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099298
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m1/s1
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56n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099284
PNG
(3N-{6-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H44Cl2N4O2/c1-37-19-15-27(23-7-11-25(33)12-8-23)29(21-37)31(39)35-17-5-3-4-6-18-36-32(40)30-22-38(2)20-16-28(30)24-9-13-26(34)14-10-24/h7-14,27-30H,3-6,15-22H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+,30+/m1/s1
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60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
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))
BDBM50099294
PNG
(5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H40Cl2N2O4/c1-34-16-14-26(22-6-10-24(32)11-7-22)28(20-34)30(36)38-18-4-3-5-19-39-31(37)29-21-35(2)17-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3/t26-,27-,28+,29+/m1/s1
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64n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50095135
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)CCc2ccccc2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H34ClN3O2/c1-34-18-17-27(25-12-14-26(31)15-13-25)28(21-34)30(36)33-20-24-9-7-23(8-10-24)19-32-29(35)16-11-22-5-3-2-4-6-22/h2-10,12-15,27-28H,11,16-21H2,1H3,(H,32,35)(H,33,36)/t27-,28+/m0/s1
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67n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 2741-3 (2000)


BindingDB Entry DOI: 10.7270/Q2KK9B1R
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099285
PNG
(3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H36Cl2N2O4/c1-32-14-12-24(20-4-8-22(30)9-5-20)26(18-32)28(34)36-16-3-17-37-29(35)27-19-33(2)15-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3/t24-,25-,26+,27+/m1/s1
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68n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50095138
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)\C=C\c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H31Cl2N3O2/c1-35-17-16-27(24-9-13-26(32)14-10-24)28(20-35)30(37)34-19-23-4-2-22(3-5-23)18-33-29(36)15-8-21-6-11-25(31)12-7-21/h2-15,27-28H,16-20H2,1H3,(H,33,36)(H,34,37)/b15-8+/t27-,28+/m0/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]-5-HT uptake into rat synaptosomes by Serotonin transporter


Bioorg Med Chem Lett 10: 2741-3 (2000)


BindingDB Entry DOI: 10.7270/Q2KK9B1R
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)
BDBM50090500
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CCC(C(C1)C(=O)OCCCc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClNO2/c1-24-14-13-20(18-9-11-19(23)12-10-18)21(16-24)22(25)26-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-21H,5,8,13-16H2,1H3
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72n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE binding to norepinephrine transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50095128
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H40Cl2N4O2/c1-39-17-15-29(25-7-11-27(35)12-8-25)31(21-39)33(41)37-19-23-3-5-24(6-4-23)20-38-34(42)32-22-40(2)18-16-30(32)26-9-13-28(36)14-10-26/h3-14,29-32H,15-22H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m0/s1
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74n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine transporter by inhibition of [3H]-NE uptake into rat nerve endings (synaptosomes)


Bioorg Med Chem Lett 10: 2741-3 (2000)


BindingDB Entry DOI: 10.7270/Q2KK9B1R
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099284
PNG
(3N-{6-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H44Cl2N4O2/c1-37-19-15-27(23-7-11-25(33)12-8-23)29(21-37)31(39)35-17-5-3-4-6-18-36-32(40)30-22-38(2)20-16-28(30)24-9-13-26(34)14-10-24/h7-14,27-30H,3-6,15-22H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+,30+/m1/s1
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75n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA


J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
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