Found 8 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50028094' 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
(Rattus norvegicus (rat)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
KEGG
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes |
Bioorg Med Chem Lett 8: 487-92 (1999)
BindingDB Entry DOI: 10.7270/Q2F76D26 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PDB Article PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SERT (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01192 BindingDB Entry DOI: 10.7270/Q2XD15CH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 1434-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.031 BindingDB Entry DOI: 10.7270/Q2F47NRD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, using [3H]5-HT |
J Med Chem 27: 1508-15 (1984)
BindingDB Entry DOI: 10.7270/Q2WS8TTB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothalamus, using [3H]norepinephrine |
J Med Chem 27: 1508-15 (1984)
BindingDB Entry DOI: 10.7270/Q2WS8TTB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank PDB PubMed
| n/a | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a |
Hong Kong University of Science and Technology
Curated by ChEMBL
| Assay Description Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT |
Bioorg Med Chem Lett 8: 487-92 (1999)
BindingDB Entry DOI: 10.7270/Q2F76D26 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |