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Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'sakamuri' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(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)
BDBM50099304
PNG
(CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1
Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1
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31n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50099313
PNG
(((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-pyridi...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1
Show InChI InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1
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44n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
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
Transporter


(Rattus norvegicus)
BDBM50099305
PNG
((2-Chloro-phenyl)-[(3S,4R)-4-(4-chloro-phenyl)-1-m...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17Cl2NO/c1-21-10-15(12-6-8-13(19)9-7-12)16(11-21)18(22)14-4-2-3-5-17(14)20/h2-9,15-16H,10-11H2,1H3/t15-,16+/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]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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79n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123256
PNG
(4-(1,2-Diphenyl-ethyl)-pyridine | CHEMBL342055)
Show SMILES C(C(c1ccccc1)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)18-11-13-20-14-12-18/h1-14,19H,15H2
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99n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
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



University of Michigan

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
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)
BDBM50099309
PNG
(((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-phenyl...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H19NO/c1-19-12-16(14-8-4-2-5-9-14)17(13-19)18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1
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150n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
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


(Homo sapiens (Human))
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



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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160n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
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
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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190n/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.


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099304
PNG
(CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1
Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1
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200n/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.


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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200n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099304
PNG
(CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1
Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1
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230n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
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


(Homo sapiens (Human))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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255n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123256
PNG
(4-(1,2-Diphenyl-ethyl)-pyridine | CHEMBL342055)
Show SMILES C(C(c1ccccc1)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)18-11-13-20-14-12-18/h1-14,19H,15H2
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263n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
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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270n/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.


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
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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270n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to inhibit [3H]DA uptake


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
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))
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))
BDBM50099307
PNG
((4-Fluoro-phenyl)-[(3S,4R)-4-(4-fluoro-phenyl)-1-m...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H17F2NO/c1-21-10-16(12-2-6-14(19)7-3-12)17(11-21)18(22)13-4-8-15(20)9-5-13/h2-9,16-17H,10-11H2,1H3/t16-,17+/m0/s1
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380n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50123256
PNG
(4-(1,2-Diphenyl-ethyl)-pyridine | CHEMBL342055)
Show SMILES C(C(c1ccccc1)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)18-11-13-20-14-12-18/h1-14,19H,15H2
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393n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50099312
PNG
((4-Chloro-phenyl)-((3S,4R)-1-methyl-4-phenyl-pyrro...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClNO/c1-20-11-16(13-5-3-2-4-6-13)17(12-20)18(21)14-7-9-15(19)10-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
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430n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50099312
PNG
((4-Chloro-phenyl)-((3S,4R)-1-methyl-4-phenyl-pyrro...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClNO/c1-20-11-16(13-5-3-2-4-6-13)17(12-20)18(21)14-7-9-15(19)10-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
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520n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099305
PNG
((2-Chloro-phenyl)-[(3S,4R)-4-(4-chloro-phenyl)-1-m...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17Cl2NO/c1-21-10-15(12-6-8-13(19)9-7-12)16(11-21)18(22)14-4-2-3-5-17(14)20/h2-9,15-16H,10-11H2,1H3/t15-,16+/m0/s1
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540n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099305
PNG
((2-Chloro-phenyl)-[(3S,4R)-4-(4-chloro-phenyl)-1-m...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17Cl2NO/c1-21-10-15(12-6-8-13(19)9-7-12)16(11-21)18(22)14-4-2-3-5-17(14)20/h2-9,15-16H,10-11H2,1H3/t15-,16+/m0/s1
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610n/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.


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099313
PNG
(((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-pyridi...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1
Show InChI InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1
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630n/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.


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123262
PNG
(2-Benzhydryl-pyridine | CHEMBL347772)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C18H15N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-14,18H
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742n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099309
PNG
(((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-phenyl...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H19NO/c1-19-12-16(14-8-4-2-5-9-14)17(13-19)18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1
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750n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123255
PNG
(3-Benzhydryl-pyridine | CHEMBL149246)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
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780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50099307
PNG
((4-Fluoro-phenyl)-[(3S,4R)-4-(4-fluoro-phenyl)-1-m...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H17F2NO/c1-21-10-16(12-2-6-14(19)7-3-12)17(11-21)18(22)13-4-8-15(20)9-5-13/h2-9,16-17H,10-11H2,1H3/t16-,17+/m0/s1
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800n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50099313
PNG
(((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-pyridi...)
Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1
Show InChI InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1
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830n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain


Bioorg Med Chem Lett 11: 1113-8 (2001)


BindingDB Entry DOI: 10.7270/Q24M952F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123255
PNG
(3-Benzhydryl-pyridine | CHEMBL149246)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
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860n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50123256
PNG
(4-(1,2-Diphenyl-ethyl)-pyridine | CHEMBL342055)
Show SMILES C(C(c1ccccc1)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)18-11-13-20-14-12-18/h1-14,19H,15H2
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910n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123263
PNG
(1-Benzyl-5-chloro-2-phenyl-1H-imidazole | CHEMBL14...)
Show SMILES Clc1cnc(-c2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C16H13ClN2/c17-15-11-18-16(14-9-5-2-6-10-14)19(15)12-13-7-3-1-4-8-13/h1-11H,12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123269
PNG
(3-Chloro-5,6-diphenyl-pyridazine-4-carbonitrile | ...)
Show SMILES Clc1nnc(-c2ccccc2)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C17H10ClN3/c18-17-14(11-19)15(12-7-3-1-4-8-12)16(20-21-17)13-9-5-2-6-10-13/h1-10H
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123268
PNG
(4-Dimethylamino-2,2-diphenyl-butyronitrile | CHEMB...)
Show SMILES CN(C)CCC(C#N)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H20N2/c1-20(2)14-13-18(15-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123266
PNG
(3-(5-Naphthalen-2-yl-tetrazol-1-yl)-quinoline | CH...)
Show SMILES c1ccc2cc(ccc2c1)-c1nnnn1-c1cnc2ccccc2c1
Show InChI InChI=1S/C20H13N5/c1-2-6-15-11-17(10-9-14(15)5-1)20-22-23-24-25(20)18-12-16-7-3-4-8-19(16)21-13-18/h1-13H
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123267
PNG
(3-(5-Phenyl-tetrazol-1-yl)-quinoline | CHEMBL14744...)
Show SMILES c1ccc(cc1)-c1nnnn1-c1cnc2ccccc2c1
Show InChI InChI=1S/C16H11N5/c1-2-6-12(7-3-1)16-18-19-20-21(16)14-10-13-8-4-5-9-15(13)17-11-14/h1-11H
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123265
PNG
(CHEMBL345273 | Diphenylvinylidene-methyl-amine)
Show SMILES CN=C=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H13N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123260
PNG
(2-[(Z)-2-(2-Chloro-phenyl)-1-phenyl-vinyl]-pyridin...)
Show SMILES Clc1ccccc1\C=C(\c1ccccc1)c1ccccn1
Show InChI InChI=1S/C19H14ClN/c20-18-11-5-4-10-16(18)14-17(15-8-2-1-3-9-15)19-12-6-7-13-21-19/h1-14H/b17-14-
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123259
PNG
(CHEMBL148615 | [Bis-(4-chloro-phenyl)-vinylidene]-...)
Show SMILES CN=C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11Cl2N/c1-18-10-15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-9H,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123262
PNG
(2-Benzhydryl-pyridine | CHEMBL347772)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C18H15N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-14,18H
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1.07E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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1.16E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
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