Found 3860 hits of ic50 for UniProtKB: P31645 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50145347
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Inhibitory concentration against serotonin transporter |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50295294
((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells |
Bioorg Med Chem Lett 20: 1027-30 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.043 BindingDB Entry DOI: 10.7270/Q2125SSB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50295294
((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 53: 7564-72 (2010)
Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50124562
(1-[3-(4-isopropenylphenyl)-(2S,3S)-8-azabicyclo[3....)Show SMILES CCC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)C(C)=C)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C19H25NO/c1-4-18(21)19-16(11-15-9-10-17(19)20-15)14-7-5-13(6-8-14)12(2)3/h5-8,15-17,19-20H,2,4,9-11H2,1,3H3/t15?,16-,17?,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Binding affinity towards serotonin transporter (SERT) by using [3H]-paroxetine as radioligand |
J Med Chem 46: 925-35 (2003)
Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V |
More data for this Ligand-Target Pair | |
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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem 21: 2217-28 (2013)
Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50330813
(3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...)Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 53: 7564-72 (2010)
Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50278521
((S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-...)Show InChI InChI=1S/C19H26N2/c1-2-3-12-21(19-10-11-20-14-19)15-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,19-20H,2-3,10-12,14-15H2,1H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 2329-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.054 BindingDB Entry DOI: 10.7270/Q2251J39 |
More data for this Ligand-Target Pair | |
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 MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50295294
((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers SquibbPharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 4031-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50295294
((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers SquibbPharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 4031-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50124569
(1-[3-(4-vinylphenyl)-(2S,3S)-8-azabicyclo[3.2.1]oc...)Show SMILES CCC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C18H23NO/c1-3-12-5-7-13(8-6-12)15-11-14-9-10-16(19-14)18(15)17(20)4-2/h3,5-8,14-16,18-19H,1,4,9-11H2,2H3/t14?,15-,16?,18+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Binding affinity towards serotonin transporter (SERT) by using [3H]-paroxetine as radioligand |
J Med Chem 46: 925-35 (2003)
Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50209166
(3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...)Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |w:3.2,c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3099-104 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50246181
((2-(3,4-dichlorophenoxy)phenyl)-N,N-dimethylmethan...)Show InChI InChI=1S/C15H15Cl2NO/c1-18(2)10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12/h3-9H,10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.350 | 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 reuptake at SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6088-92 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.028 BindingDB Entry DOI: 10.7270/Q2RJ4JBK |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173715
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | PDB
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells |
Bioorg Med Chem Lett 20: 1027-30 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.043 BindingDB Entry DOI: 10.7270/Q2125SSB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173715
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | PDB
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers SquibbPharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 4031-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50124565
(CHEMBL353333 | methyl 3-(4-iodophenyl)-(2S,3S)-8-a...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11?,12-,13?,14+/m1/s1 | PDB
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Binding affinity towards serotonin transporter (SERT) |
J Med Chem 46: 925-35 (2003)
Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50330844
(3-[(1R,3S)-3-Dimethylaminocyclopentyl]-1H-indole-5...)Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 53: 7564-72 (2010)
Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50209168
((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3099-104 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50151982
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32) | PDB
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SERT (unknown origin) in HEK293 cells assessed as inhibition of 5-HT reuptake by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50151982
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32) | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50151982
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32) | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of SERT (unknown origin) expressed in HEK293 cells assessed as reduction in 5-HT uptake incubated for 30 mins |
Bioorg Med Chem 26: 3117-3125 (2018)
Article DOI: 10.1016/j.bmc.2018.04.037 BindingDB Entry DOI: 10.7270/Q28P631Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173715
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | PDB
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| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human SERT |
Bioorg Med Chem Lett 17: 5647-51 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.083 BindingDB Entry DOI: 10.7270/Q2KP82Z6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50330813
(3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...)Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1 | PDB
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| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 53: 7564-72 (2010)
Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173715
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | PDB
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| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 53: 7564-72 (2010)
Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50490602
(CHEMBL2338047)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)cc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl2FNO/c18-13-8-14(19)17(15(20)9-13)22-16(12-6-7-21-10-12)11-4-2-1-3-5-11/h1-5,8-9,12,16,21H,6-7,10H2/t12-,16-/m0/s1 | PDB
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| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173715
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 23: 2948-50 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.045 BindingDB Entry DOI: 10.7270/Q2BC42G4 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50209172
((S)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)Show SMILES CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m1/s1 | PDB
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| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3099-104 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot... |
Bioorg Med Chem 25: 293-304 (2017)
Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50330814
(CHEMBL1275791 | [(1R,3S)-3-(5-Fluoro-1H-indol-3-yl...)Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r| Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 53: 7564-72 (2010)
Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50490607
(CHEMBL2338037)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccc(Cl)cc1OC)c1ccccc1 |r| Show InChI InChI=1S/C18H20ClNO2/c1-21-17-11-15(19)7-8-16(17)22-18(14-9-10-20-12-14)13-5-3-2-4-6-13/h2-8,11,14,18,20H,9-10,12H2,1H3/t14-,18-/m1/s1 | PDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50490636
(CHEMBL2337599)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(c1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C18H18N2O/c19-12-14-5-4-8-17(11-14)21-18(16-9-10-20-13-16)15-6-2-1-3-7-15/h1-8,11,16,18,20H,9-10,13H2/t16-,18-/m1/s1 | PDB
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| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50352717
(CHEMBL1823213 | US8835436, Example 151)Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1 | PDB
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| US Patent
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Green Cross Corporation
US Patent
| Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t... |
US Patent US8835436 (2014)
BindingDB Entry DOI: 10.7270/Q24T6H2H |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50352717
(CHEMBL1823213 | US8835436, Example 151)Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1 | PDB
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| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Green Cross Corporation
Curated by ChEMBL
| Assay Description Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells |
J Med Chem 54: 6305-18 (2011)
Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459917
(CHEMBL4228747)Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Oc1ccc3oc(=O)c(C)cc3c1)N2 |r,TLB:9:7:22:3.2| Show InChI InChI=1S/C17H19NO3/c1-10-6-11-7-14(4-5-16(11)21-17(10)19)20-15-8-12-2-3-13(9-15)18-12/h4-7,12-13,15,18H,2-3,8-9H2,1H3/t12-,13+,15? | PDB
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| Article PubMed
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to SERT (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50209168
((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1 | PDB
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| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3099-104 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50209168
((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers SquibbPharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 4031-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50209168
((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1 | PDB
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| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells |
Bioorg Med Chem Lett 20: 1027-30 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.043 BindingDB Entry DOI: 10.7270/Q2125SSB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50352719
(CHEMBL1823215 | US8835436, Example 152)Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wD:8.8,(16.59,-9.13,;17.37,-7.8,;18.91,-7.8,;19.39,-6.34,;20.72,-5.57,;20.72,-4.03,;22.05,-6.34,;23.39,-5.57,;24.72,-6.34,;24.72,-7.88,;26.06,-5.57,;27.39,-6.33,;28.71,-5.55,;30.04,-6.32,;30.05,-7.86,;28.71,-8.63,;27.37,-7.87,;31.38,-8.62,;32.71,-7.84,;34.05,-8.61,;34.05,-10.15,;32.71,-10.92,;32.71,-12.46,;31.38,-10.16,;30.05,-10.93,;18.14,-5.43,;18.14,-3.89,;16.89,-6.34,;15.56,-5.56,;15.57,-4.03,;14.24,-3.25,;12.89,-4.02,;12.9,-5.57,;14.23,-6.34,;14.24,-7.88,)| Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m1/s1 | PDB
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| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Green Cross Corporation
US Patent
| Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t... |
US Patent US8835436 (2014)
BindingDB Entry DOI: 10.7270/Q24T6H2H |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50352719
(CHEMBL1823215 | US8835436, Example 152)Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wD:8.8,(16.59,-9.13,;17.37,-7.8,;18.91,-7.8,;19.39,-6.34,;20.72,-5.57,;20.72,-4.03,;22.05,-6.34,;23.39,-5.57,;24.72,-6.34,;24.72,-7.88,;26.06,-5.57,;27.39,-6.33,;28.71,-5.55,;30.04,-6.32,;30.05,-7.86,;28.71,-8.63,;27.37,-7.87,;31.38,-8.62,;32.71,-7.84,;34.05,-8.61,;34.05,-10.15,;32.71,-10.92,;32.71,-12.46,;31.38,-10.16,;30.05,-10.93,;18.14,-5.43,;18.14,-3.89,;16.89,-6.34,;15.56,-5.56,;15.57,-4.03,;14.24,-3.25,;12.89,-4.02,;12.9,-5.57,;14.23,-6.34,;14.24,-7.88,)| Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m1/s1 | PDB
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DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Green Cross Corporation
Curated by ChEMBL
| Assay Description Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells |
J Med Chem 54: 6305-18 (2011)
Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50490626
(CHEMBL2337608)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-8-15(19)10-16(9-14)21-17(13-6-7-20-11-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2/t13-,17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50490612
(CHEMBL2337603)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]imipramine from human recombinant 5HT transporter expressed in CHO cells measured after 60 mins by scintillation counting method |
Bioorg Med Chem 25: 471-482 (2017)
Article DOI: 10.1016/j.bmc.2016.11.014 BindingDB Entry DOI: 10.7270/Q2CF9S3S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]imipramine from human recombinant 5-HT transporter expressed in CHO cells |
Bioorg Med Chem 24: 1793-810 (2016)
Article DOI: 10.1016/j.bmc.2016.03.006 BindingDB Entry DOI: 10.7270/Q2J67JS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50330843
(3-[(1S,3S)-3-Dimethylaminocyclopentyl]-1H-indole-5...)Show SMILES CN(C)[C@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 53: 7564-72 (2010)
Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50490637
(CHEMBL2338049)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50209175
(CHEMBL396537 | N,N-dimethyl-4-(5-nitro-1H-indol-3-...)Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |w:3.2,c:6| Show InChI InChI=1S/C16H19N3O2/c1-18(2)12-5-3-11(4-6-12)15-10-17-16-8-7-13(19(20)21)9-14(15)16/h3,7-10,12,17H,4-6H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3099-104 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50178374
(((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc12 Show InChI InChI=1S/C18H19Cl2NO/c1-21-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-22)8-15(14)18/h2-4,6,8-9,13,18,21-22H,5,7,10H2,1H3/t13-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | 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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50178367
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | 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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50252172
(5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tet...)Show SMILES CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4018-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.001 BindingDB Entry DOI: 10.7270/Q2W37W4X |
More data for this Ligand-Target Pair | |