Found 1072 hits with Last Name = 'boot' and Initial = 'j' 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)) | BDBM50183152
(CHEMBL206580 | N-(4-(trifluoromethyl)benzyl)-N-iso...)Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-7-9-21-10-8-16)12-14-3-5-15(6-4-14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
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
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50451852
(CHEMBL1159649)Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183124
(CHEMBL381373 | N-(3-(trifluoromethyl)benzyl)-N-iso...)Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-6-8-21-9-7-16)12-14-4-3-5-15(10-14)17(18,19)20/h3-5,10,13,16,21H,6-9,11-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183122
(4-((isobutyl(piperidin-4-yl)amino)methyl)benzonitr...)Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-7-9-19-10-8-17)13-16-5-3-15(11-18)4-6-16/h3-6,14,17,19H,7-10,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145355
(1-{2-[4-(6,7-Dichloro-1H-indol-3-yl)-3,6-dihydro-2...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(Cl)c(Cl)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25Cl2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145343
(1-{2-[4-(6-Fluoro-benzofuran-3-yl)-3,6-dihydro-2H-...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3coc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25FN2O3/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145356
(1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50366907
(CHEMBL1169435)Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183121
(CHEMBL441358 | N-(4-fluoro-2-(trifluoromethyl)benz...)Show InChI InChI=1S/C17H24F4N2/c1-12(2)10-23(15-5-7-22-8-6-15)11-13-3-4-14(18)9-16(13)17(19,20)21/h3-4,9,12,15,22H,5-8,10-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145342
(1-{2-[4-(6-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(Cl)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26ClN3O2/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
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183126
(CHEMBL207374 | N-(2,4-dimethylbenzyl)-N-isobutylpi...)Show InChI InChI=1S/C18H30N2/c1-14(2)12-20(18-7-9-19-10-8-18)13-17-6-5-15(3)11-16(17)4/h5-6,11,14,18-19H,7-10,12-13H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183154
(CHEMBL207067 | CHEMBL207214 | N-(4-fluoro-2-(trifl...)Show InChI InChI=1S/C17H22F4N2/c18-14-4-3-13(16(9-14)17(19,20)21)11-23(10-12-1-2-12)15-5-7-22-8-6-15/h3-4,9,12,15,22H,1-2,5-8,10-11H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183141
(3-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...)Show InChI InChI=1S/C16H19F4N3/c17-13-3-2-12(15(10-13)16(18,19)20)11-23(9-1-6-21)14-4-7-22-8-5-14/h2-3,10,14,22H,1,4-5,7-9,11H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183177
(4-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...)Show InChI InChI=1S/C17H21F4N3/c18-14-4-3-13(16(11-14)17(19,20)21)12-24(10-2-1-7-22)15-5-8-23-9-6-15/h3-4,11,15,23H,1-2,5-6,8-10,12H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183136
(CHEMBL208533 | N-(2-chloro-3-(trifluoromethyl)benz...)Show InChI InChI=1S/C17H24ClF3N2/c1-12(2)10-23(14-6-8-22-9-7-14)11-13-4-3-5-15(16(13)18)17(19,20)21/h3-5,12,14,22H,6-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183137
(1-(2-cyclohexyl-4-methylpentyl)-3-ethynylbenzene f...)Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-6-8-19-9-7-17)13-16-5-3-4-15(10-16)11-18/h3-5,10,14,17,19H,6-9,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145354
(1-{2-[4-(6-Fluoro-1H-indazol-3-yl)-3,6-dihydro-2H-...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3[nH]nc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H25FN4O2/c25-18-2-4-20-21(14-18)27-28-23(20)15-5-9-29(10-6-15)11-7-22-19-3-1-17(24(26)30)13-16(19)8-12-31-22/h1-5,13-14,22H,6-12H2,(H2,26,30)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145350
(1-{2-[4-(6-Fluoro-1-methyl-1H-indazol-3-yl)-3,6-di...)Show SMILES Cn1nc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C25H27FN4O2/c1-29-22-15-19(26)3-5-21(22)24(28-29)16-6-10-30(11-7-16)12-8-23-20-4-2-18(25(27)31)14-17(20)9-13-32-23/h2-6,14-15,23H,7-13H2,1H3,(H2,27,31) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183135
(4-((2-(trifluoromethyl)benzyl)(piperidin-4-yl)amin...)Show InChI InChI=1S/C17H22F3N3/c18-17(19,20)16-6-2-1-5-14(16)13-23(12-4-3-9-21)15-7-10-22-11-8-15/h1-2,5-6,15,22H,3-4,7-8,10-13H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183173
(4-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...)Show SMILES CC(C)(CCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1)C#N Show InChI InChI=1S/C19H25F4N3/c1-18(2,13-24)7-10-26(16-5-8-25-9-6-16)12-14-3-4-15(20)11-17(14)19(21,22)23/h3-4,11,16,25H,5-10,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145349
(1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145338
(1-{2-[(S)-4-(6-Fluoro-1H-indol-3-yl)-2-methyl-pipe...)Show SMILES C[C@H]1CC(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C26H30FN3O2/c1-16-12-17(23-15-29-24-14-20(27)3-5-22(23)24)6-9-30(16)10-7-25-21-4-2-19(26(28)31)13-18(21)8-11-32-25/h2-5,13-17,25,29H,6-12H2,1H3,(H2,28,31)/t16-,17?,25?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210638
(1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methylpipe...)Show SMILES C[C@@H]1CN(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 |w:9.9| Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183134
(CHEMBL207854 | N-(4-fluoro-2-(trifluoromethyl)benz...)Show InChI InChI=1S/C16H22F4N2/c1-2-9-22(14-5-7-21-8-6-14)11-12-3-4-13(17)10-15(12)16(18,19)20/h3-4,10,14,21H,2,5-9,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183154
(CHEMBL207067 | CHEMBL207214 | N-(4-fluoro-2-(trifl...)Show InChI InChI=1S/C17H22F4N2/c18-14-4-3-13(16(9-14)17(19,20)21)11-23(10-12-1-2-12)15-5-7-22-8-6-15/h3-4,9,12,15,22H,1-2,5-8,10-11H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210642
((S)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methylp...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N Show InChI InChI=1S/C28H30N4O2/c1-19-18-32(26-4-2-3-21-15-20(17-29)5-7-24(21)26)13-12-31(19)11-9-27-25-8-6-23(28(30)33)16-22(25)10-14-34-27/h2-8,15-16,19,27H,9-14,18H2,1H3,(H2,30,33)/t19-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183176
(CHEMBL207860 | N-(2,4-dichlorobenzyl)-N-isobutylpi...)Show InChI InChI=1S/C16H24Cl2N2/c1-12(2)10-20(15-5-7-19-8-6-15)11-13-3-4-14(17)9-16(13)18/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145344
(1-{2-[4-(6-Fluoro-1-methyl-1H-indol-3-yl)-3,6-dihy...)Show SMILES Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C26H28FN3O2/c1-29-16-23(22-5-3-20(27)15-24(22)29)17-6-10-30(11-7-17)12-8-25-21-4-2-19(26(28)31)14-18(21)9-13-32-25/h2-6,14-16,25H,7-13H2,1H3,(H2,28,31) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183166
(CHEMBL380191 | isobutyl-(4-methyl-benzyl)-piperidi...)Show InChI InChI=1S/C17H28N2/c1-14(2)12-19(17-8-10-18-11-9-17)13-16-6-4-15(3)5-7-16/h4-7,14,17-18H,8-13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145346
(1-{2-[4-(6-Trifluoromethyl-1H-indol-3-yl)-3,6-dihy...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1 |c:13| Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)19-2-4-21-22(15-31-23(21)14-19)16-5-9-32(10-6-16)11-7-24-20-3-1-18(25(30)33)13-17(20)8-12-34-24/h1-5,13-15,24,31H,6-12H2,(H2,30,33) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210635
((S)-1-(2-(4-(6-cyanonaphthalen-1-yl)piperazin-1-yl...)Show SMILES NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1 Show InChI InChI=1S/C27H28N4O2/c28-18-19-4-6-23-20(16-19)2-1-3-25(23)31-13-11-30(12-14-31)10-8-26-24-7-5-22(27(29)32)17-21(24)9-15-33-26/h1-7,16-17,26H,8-15H2,(H2,29,32)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145336
(1-{2-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-3,6-dihyd...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3csc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25FN2O2S/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50173945
(CHEMBL195190 | [2,2']Bithiophenyl-5-carboxylic aci...)Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(s1)-c1cccs1 |THB:2:3:9.10:7.6,(5.22,-2.93,;4.66,-4.37,;3.13,-4.59,;2.18,-3.38,;1.89,-1.97,;.55,-1.36,;.61,.27,;1.06,-.84,;.8,-2.74,;-.74,-3.4,;-.94,-2.02,;5.62,-5.57,;5.2,-7.07,;6.49,-7.93,;7.69,-6.97,;7.16,-5.52,;9.18,-7.39,;9.64,-8.87,;11.18,-8.87,;11.66,-7.41,;10.43,-6.49,)| Show InChI InChI=1S/C16H18N2OS2/c19-16(17-12-10-18-7-5-11(12)6-8-18)15-4-3-14(21-15)13-2-1-9-20-13/h1-4,9,11-12H,5-8,10H2,(H,17,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Ltd.
Curated by ChEMBL
| Assay Description Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine |
Bioorg Med Chem Lett 15: 4727-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.070 BindingDB Entry DOI: 10.7270/Q28K79W0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183165
(CHEMBL438059 | N-(2-(methylthio)benzyl)-N-isobutyl...)Show InChI InChI=1S/C17H28N2S/c1-14(2)12-19(16-8-10-18-11-9-16)13-15-6-4-5-7-17(15)20-3/h4-7,14,16,18H,8-13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183147
(CHEMBL207755 | N-(4-fluoro-2-(trifluoromethyl)benz...)Show InChI InChI=1S/C17H24F4N2O/c1-24-10-2-9-23(15-5-7-22-8-6-15)12-13-3-4-14(18)11-16(13)17(19,20)21/h3-4,11,15,22H,2,5-10,12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183160
(2-((isobutyl(piperidin-4-yl)amino)methyl)benzonitr...)Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-7-9-19-10-8-17)13-16-6-4-3-5-15(16)11-18/h3-6,14,17,19H,7-10,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50145352
(1-{2-[3-(6-Fluoro-1H-indol-3-yl)-pyrrolidin-1-yl]-...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(C3)c3c[nH]c4cc(F)ccc34)OCCc2c1 Show InChI InChI=1S/C24H26FN3O2/c25-18-2-4-20-21(13-27-22(20)12-18)17-5-8-28(14-17)9-6-23-19-3-1-16(24(26)29)11-15(19)7-10-30-23/h1-4,11-13,17,23,27H,5-10,14H2,(H2,26,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210637
((1S)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183146
(CHEMBL426316 | N-(4-fluoro-2-(trifluoromethyl)benz...)Show InChI InChI=1S/C17H24F4N2/c1-2-3-10-23(15-6-8-22-9-7-15)12-13-4-5-14(18)11-16(13)17(19,20)21/h4-5,11,15,22H,2-3,6-10,12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210640
((1R)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methyl...)Show SMILES C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(ccc12)C#N |w:17.17,c:15,t:13| Show InChI InChI=1S/C27H30N4O2/c1-18-16-31(25-4-2-3-20-13-19(15-28)5-7-23(20)25)12-11-30(18)10-9-26-24-8-6-21(27(29)32)14-22(24)17-33-26/h2-7,13-14,18,24,26H,8-12,16-17H2,1H3,(H2,29,32)/t18-,24?,26+/m0/s1 | PDB
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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50173953
(CHEMBL364069 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc(s1)-c1ccccn1 |wD:3.2,THB:2:3:9.10:7.6,(3.4,-.23,;2.83,-1.67,;1.29,-1.88,;.35,-.66,;.05,.74,;-1.29,1.35,;-1.23,2.99,;-.77,1.87,;-1.02,-.03,;-2.57,-.69,;-2.78,.69,;3.79,-2.88,;3.37,-4.36,;4.66,-5.22,;5.86,-4.27,;5.32,-2.82,;7.35,-4.69,;8.45,-3.6,;9.93,-4.01,;10.32,-5.52,;9.22,-6.6,;7.73,-6.18,)| Show InChI InChI=1S/C17H19N3OS/c21-17(19-14-11-20-9-6-12(14)7-10-20)16-5-4-15(22-16)13-3-1-2-8-18-13/h1-5,8,12,14H,6-7,9-11H2,(H,19,21)/t14-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Ltd.
Curated by ChEMBL
| Assay Description Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine |
Bioorg Med Chem Lett 15: 4727-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.070 BindingDB Entry DOI: 10.7270/Q28K79W0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183138
(CHEMBL380890 | N-(2-(trifluoromethyl)benzyl)-N-iso...)Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(15-7-9-21-10-8-15)12-14-5-3-4-6-16(14)17(18,19)20/h3-6,13,15,21H,7-12H2,1-2H3 | PDB
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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183144
(CHEMBL207810 | N-(5-fluoro-2-methoxybenzyl)-N-isob...)Show InChI InChI=1S/C17H27FN2O/c1-13(2)11-20(16-6-8-19-9-7-16)12-14-10-15(18)4-5-17(14)21-3/h4-5,10,13,16,19H,6-9,11-12H2,1-3H3 | PDB
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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50183151
(CHEMBL208251 | N-(2-chlorobenzyl)-N-isobutylpiperi...)Show InChI InChI=1S/C16H25ClN2/c1-13(2)11-19(15-7-9-18-10-8-15)12-14-5-3-4-6-16(14)17/h3-6,13,15,18H,7-12H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from NET |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183127
(CHEMBL208067 | isobutyl-(2-methyl-benzyl)-piperidi...)Show InChI InChI=1S/C17H28N2/c1-14(2)12-19(17-8-10-18-11-9-17)13-16-7-5-4-6-15(16)3/h4-7,14,17-18H,8-13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183133
(CHEMBL207023 | N-(2-(trifluoromethyl)benzyl)-N-but...)Show InChI InChI=1S/C17H25F3N2/c1-2-3-12-22(15-8-10-21-11-9-15)13-14-6-4-5-7-16(14)17(18,19)20/h4-7,15,21H,2-3,8-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183129
(CHEMBL377882 | N-(2-(trifluoromethyl)benzyl)-N-(cy...)Show InChI InChI=1S/C17H23F3N2/c18-17(19,20)16-4-2-1-3-14(16)12-22(11-13-5-6-13)15-7-9-21-10-8-15/h1-4,13,15,21H,5-12H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50145341
(1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)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
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co. Ltd
Curated by ChEMBL
| Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes |
Bioorg Med Chem Lett 14: 2469-72 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2 |
More data for this Ligand-Target Pair | |