Found 2266 hits with Last Name = 'boot' and Initial = 'r' 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
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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 | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | PDB
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
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
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| 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 | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | KEGG
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| 0.129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Leishmania major |
J Med Chem 30: 1218-24 (1987)
Checked by Author
BindingDB Entry DOI: 10.7270/Q21V5FJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | UniProtKB/SwissProt
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
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
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| 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
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| 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 | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | UniProtKB/SwissProt
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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 | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | PDB
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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1166-78 (2002)
Article DOI: 10.1124/jpet.301.3.1166
BindingDB Entry DOI: 10.7270/Q2V69H4V |
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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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 | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM22567
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 | UniProtKB/SwissProt
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| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86032
(trans-H2-PAT(-) | trans-PAT)Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1 | UniProtKB/SwissProt
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| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
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
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| 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 | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50541118
(CHEMBL4637900)Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r| Show InChI InChI=1S/C22H28ClN/c1-3-14-24(15-4-2)18-12-13-19-17(16-18)8-7-10-20(19)21-9-5-6-11-22(21)23/h5-11,18H,3-4,12-16H2,1-2H3/t18-/m0/s1 | PDB
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| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | UniProtKB/SwissProt
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| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | UniProtKB/SwissProt
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| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
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
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| 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 | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1166-78 (2002)
Article DOI: 10.1124/jpet.301.3.1166
BindingDB Entry DOI: 10.7270/Q2V69H4V |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM22567
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 | UniProtKB/SwissProt
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| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
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
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| 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
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| 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)) | 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
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| 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)) | 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
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| 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 | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86174
(CAS_486-12-4 | NSC_5282443 | Triprolidine)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3 | UniProtKB/SwissProt
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| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 274-81 (2004)
Article DOI: 10.1124/jpet.104.070086
BindingDB Entry DOI: 10.7270/Q27S7MB9 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | UniProtKB/SwissProt
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| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
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
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| 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
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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
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| CHEMBL
PC cid
PC sid
UniChem
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| 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
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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 | |
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
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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 7
(Homo sapiens (Human)) | BDBM50541149
(CHEMBL4647808)Show InChI InChI=1S/C18H20ClN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1 | PDB
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Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22567
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 | PDB
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| 1.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
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
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| 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)) | 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
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| 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 | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | PDB
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PC cid
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Article
PubMed
| 1.11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
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