Found 8 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50020712' 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)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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UniProtKB/SwissProt
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| DrugBank PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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| DrugBank Article PubMed
| 3.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
Biol Psychiatry 55: 320-2 (2004)
Article DOI: 10.1016/j.biopsych.2003.07.006 BindingDB Entry DOI: 10.7270/Q2K64GMB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank Article PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells measured after 30 mins |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
KEGG
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank Article PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells measured after 30 mins |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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| DrugBank Article PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-citalopram from human SERT expressed in HEK cell membrane assessed as inhibition constant by radioligand binding assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| 17.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boots Pharmaceuticals
Curated by PDSP Ki Database
| |
Neuropharmacology 32: 737-43 (1993)
Article DOI: 10.1016/0028-3908(93)90181-2 BindingDB Entry DOI: 10.7270/Q22J69D4 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibition of [14C]-5-HT transporter uptake by rat brain slices |
J Med Chem 27: 616-27 (1984)
BindingDB Entry DOI: 10.7270/Q2NS0SX2 |
More data for this Ligand-Target Pair | |