Found 39 hits with Last Name = 'gillespie' and Initial = 'ta' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | PDB
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| DrugBank
Article
PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50148370
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1 | PDB
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| 1.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serototnin (5-HT) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50148369
(1-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-17(18-7-4-12-24-18)23-16-6-3-5-14-13(16)8-9-15(21)19(14)22-2/h3-9,12,17,20-21H,10-11H2,1-2H3/t17-/m0/s1 | PDB
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| 3.66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serototnin (5-HT) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50148370
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1 | Reactome pathway
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| 4.72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | Reactome pathway
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| DrugBank
Article
PubMed
| 7.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50148377
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-9-4-12-22-18)21-16-8-3-5-13-14(16)6-2-7-15(13)20/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1 | PDB
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| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serototnin (5-HT) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50148377
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-9-4-12-22-18)21-16-8-3-5-13-14(16)6-2-7-15(13)20/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1 | Reactome pathway
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| Article
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| 18.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50148379
(4-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-7-4-12-22-18)21-16-9-8-15(20)13-5-2-3-6-14(13)16/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1 | PDB
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| Article
PubMed
| 63.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serototnin (5-HT) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50148379
(4-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-7-4-12-22-18)21-16-9-8-15(20)13-5-2-3-6-14(13)16/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1 | Reactome pathway
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| 97.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50148373
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1 | PDB
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| Article
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50148373
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1 | PDB
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| CHEMBL
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| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50148379
(4-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-7-4-12-22-18)21-16-9-8-15(20)13-5-2-3-6-14(13)16/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1 | NCI pathway
Reactome pathway
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| Article
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50148370
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1 | NCI pathway
Reactome pathway
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| 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50148369
(1-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-17(18-7-4-12-24-18)23-16-6-3-5-14-13(16)8-9-15(21)19(14)22-2/h3-9,12,17,20-21H,10-11H2,1-2H3/t17-/m0/s1 | Reactome pathway
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| CHEMBL
PC cid
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| Article
PubMed
| 235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | NCI pathway
Reactome pathway
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| DrugBank
Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-WIN-35,428 binding to cloned human dopamine (DA) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50148377
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-9-4-12-22-18)21-16-8-3-5-13-14(16)6-2-7-15(13)20/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1 | NCI pathway
Reactome pathway
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| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50148378
(2-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-16(18-7-4-12-24-18)23-15-6-3-5-14-13(15)8-9-17(22-2)19(14)21/h3-9,12,16,20-21H,10-11H2,1-2H3/t16-/m0/s1 | PDB
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| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50148369
(1-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-17(18-7-4-12-24-18)23-16-6-3-5-14-13(16)8-9-15(21)19(14)22-2/h3-9,12,17,20-21H,10-11H2,1-2H3/t17-/m0/s1 | NCI pathway
Reactome pathway
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| Article
PubMed
| 353 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50148373
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
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Similars
| Article
PubMed
| 695 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50148373
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 695 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50148378
(2-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-16(18-7-4-12-24-18)23-15-6-3-5-14-13(15)8-9-17(22-2)19(14)21/h3-9,12,16,20-21H,10-11H2,1-2H3/t16-/m0/s1 | Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50451958
(CHEMBL2029052)Show SMILES [H][C@@](CCNC)(Oc1cccc2cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1 Show InChI InChI=1S/C24H27NO8S/c1-25-10-9-17(18-6-3-11-34-18)32-16-5-2-4-13-12-14(7-8-15(13)16)31-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-8,11-12,17,19-22,24-28H,9-10H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50148378
(2-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-16(18-7-4-12-24-18)23-15-6-3-5-14-13(15)8-9-17(22-2)19(14)21/h3-9,12,16,20-21H,10-11H2,1-2H3/t16-/m0/s1 | NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50148376
(CHEMBL420142 | sodium 2-methoxy-5-{[(1S)-3-(methyl...)Show SMILES CNCC[C@H](Oc1cccc2c(OS([O-])(=O)=O)c(OC)ccc12)c1cccs1 Show InChI InChI=1S/C19H21NO6S2/c1-20-11-10-16(18-7-4-12-27-18)25-15-6-3-5-14-13(15)8-9-17(24-2)19(14)26-28(21,22)23/h3-9,12,16,20H,10-11H2,1-2H3,(H,21,22,23)/p-1/t16-/m0/s1 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| 3.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50451957
(CHEMBL2029053)Show SMILES [H][C@@](CCNC)(Oc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c2ccccc12)c1cccs1 Show InChI InChI=1S/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1 | NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50451958
(CHEMBL2029052)Show SMILES [H][C@@](CCNC)(Oc1cccc2cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1 Show InChI InChI=1S/C24H27NO8S/c1-25-10-9-17(18-6-3-11-34-18)32-16-5-2-4-13-12-14(7-8-15(13)16)31-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-8,11-12,17,19-22,24-28H,9-10H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1 | Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50148373
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1 | NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50148373
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1 | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50148376
(CHEMBL420142 | sodium 2-methoxy-5-{[(1S)-3-(methyl...)Show SMILES CNCC[C@H](Oc1cccc2c(OS([O-])(=O)=O)c(OC)ccc12)c1cccs1 Show InChI InChI=1S/C19H21NO6S2/c1-20-11-10-16(18-7-4-12-27-18)25-15-6-3-5-14-13(15)8-9-17(24-2)19(14)26-28(21,22)23/h3-9,12,16,20H,10-11H2,1-2H3,(H,21,22,23)/p-1/t16-/m0/s1 | Reactome pathway
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UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50451955
(CHEMBL2029055)Show SMILES [H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(OC)ccc12)c1cccs1 Show InChI InChI=1S/C25H29NO9S/c1-26-11-10-16(18-7-4-12-36-18)33-15-6-3-5-14-13(15)8-9-17(32-2)22(14)34-25-21(29)19(27)20(28)23(35-25)24(30)31/h3-9,12,16,19-21,23,25-29H,10-11H2,1-2H3,(H,30,31)/t16-,19-,20-,21+,23-,25+/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50451957
(CHEMBL2029053)Show SMILES [H][C@@](CCNC)(Oc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c2ccccc12)c1cccs1 Show InChI InChI=1S/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1 | PDB
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MCE
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50451956
(CHEMBL2029054)Show SMILES [H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1 Show InChI InChI=1S/C30H35NO15S/c1-31-10-9-15(17-6-3-11-47-17)42-14-5-2-4-13-12(14)7-8-16(43-29-22(36)18(32)20(34)25(45-29)27(38)39)24(13)44-30-23(37)19(33)21(35)26(46-30)28(40)41/h2-8,11,15,18-23,25-26,29-37H,9-10H2,1H3,(H,38,39)(H,40,41)/t15-,18-,19-,20-,21-,22+,23+,25-,26-,29+,30+/m0/s1 | PDB
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PC cid
PC sid
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50451957
(CHEMBL2029053)Show SMILES [H][C@@](CCNC)(Oc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c2ccccc12)c1cccs1 Show InChI InChI=1S/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50451956
(CHEMBL2029054)Show SMILES [H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1 Show InChI InChI=1S/C30H35NO15S/c1-31-10-9-15(17-6-3-11-47-17)42-14-5-2-4-13-12(14)7-8-16(43-29-22(36)18(32)20(34)25(45-29)27(38)39)24(13)44-30-23(37)19(33)21(35)26(46-30)28(40)41/h2-8,11,15,18-23,25-26,29-37H,9-10H2,1H3,(H,38,39)(H,40,41)/t15-,18-,19-,20-,21-,22+,23+,25-,26-,29+,30+/m0/s1 | Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50451955
(CHEMBL2029055)Show SMILES [H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(OC)ccc12)c1cccs1 Show InChI InChI=1S/C25H29NO9S/c1-26-11-10-16(18-7-4-12-36-18)33-15-6-3-5-14-13(15)8-9-17(32-2)22(14)34-25-21(29)19(27)20(28)23(35-25)24(30)31/h3-9,12,16,19-21,23,25-29H,10-11H2,1-2H3,(H,30,31)/t16-,19-,20-,21+,23-,25+/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50451958
(CHEMBL2029052)Show SMILES [H][C@@](CCNC)(Oc1cccc2cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1 Show InChI InChI=1S/C24H27NO8S/c1-25-10-9-17(18-6-3-11-34-18)32-16-5-2-4-13-12-14(7-8-15(13)16)31-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-8,11-12,17,19-22,24-28H,9-10H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50451956
(CHEMBL2029054)Show SMILES [H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1 Show InChI InChI=1S/C30H35NO15S/c1-31-10-9-15(17-6-3-11-47-17)42-14-5-2-4-13-12(14)7-8-16(43-29-22(36)18(32)20(34)25(45-29)27(38)39)24(13)44-30-23(37)19(33)21(35)26(46-30)28(40)41/h2-8,11,15,18-23,25-26,29-37H,9-10H2,1H3,(H,38,39)(H,40,41)/t15-,18-,19-,20-,21-,22+,23+,25-,26-,29+,30+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50451955
(CHEMBL2029055)Show SMILES [H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(OC)ccc12)c1cccs1 Show InChI InChI=1S/C25H29NO9S/c1-26-11-10-16(18-7-4-12-36-18)33-15-6-3-5-14-13(15)8-9-17(32-2)22(14)34-25-21(29)19(27)20(28)23(35-25)24(30)31/h3-9,12,16,19-21,23,25-29H,10-11H2,1-2H3,(H,30,31)/t16-,19-,20-,21+,23-,25+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50148376
(CHEMBL420142 | sodium 2-methoxy-5-{[(1S)-3-(methyl...)Show SMILES CNCC[C@H](Oc1cccc2c(OS([O-])(=O)=O)c(OC)ccc12)c1cccs1 Show InChI InChI=1S/C19H21NO6S2/c1-20-11-10-16(18-7-4-12-27-18)25-15-6-3-5-14-13(15)8-9-17(24-2)19(14)26-28(21,22)23/h3-9,12,16,20H,10-11H2,1-2H3,(H,21,22,23)/p-1/t16-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this
Ligand-Target Pair | |
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