Found 96 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199601
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(3-methoxy...)Show SMILES COc1cccc(c1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-14-4-11-28-12-9-21(26)10-13-28)7-8-24(20)25(18-27)19-5-3-6-22(15-19)29-2/h3,5-8,15-16,21,25H,4,9-14,17-18H2,1-2H3 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198590
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198590
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199600
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2ccc(cc2)S(C)(=O)=O)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H33FN2O3S/c1-27-17-20-16-22(31-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(8-5-19)32(2,29)30/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199603
(4-(4-ethoxyphenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CCOc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:9.9| Show InChI InChI=1S/C26H35FN2O2/c1-3-30-23-7-5-20(6-8-23)26-19-28(2)18-21-17-24(9-10-25(21)26)31-16-4-13-29-14-11-22(27)12-15-29/h5-10,17,22,26H,3-4,11-16,18-19H2,1-2H3 | PDB
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PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199598
(4-(4-(difluoromethoxy)phenyl)-7-(3-(4-fluoropiperi...)Show SMILES CN1CC(c2ccc(OC(F)F)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H31F3N2O2/c1-29-16-19-15-22(31-14-2-11-30-12-9-20(26)10-13-30)7-8-23(19)24(17-29)18-3-5-21(6-4-18)32-25(27)28/h3-8,15,20,24-25H,2,9-14,16-17H2,1H3 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199604
(4-(3-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CN1CC(c2cccc(Cl)c2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H30ClFN2O/c1-27-16-19-15-22(29-13-3-10-28-11-8-21(26)9-12-28)6-7-23(19)24(17-27)18-4-2-5-20(25)14-18/h2,4-7,14-15,21,24H,3,8-13,16-17H2,1H3 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199595
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)Show SMILES CN1CC(c2ccccc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H31FN2O/c1-26-17-20-16-22(28-15-5-12-27-13-10-21(25)11-14-27)8-9-23(20)24(18-26)19-6-3-2-4-7-19/h2-4,6-9,16,21,24H,5,10-15,17-18H2,1H3 | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199606
(4-(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-...)Show SMILES CN1CC(c2ccc(cc2)C#N)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30FN3O/c1-28-17-21-15-23(30-14-2-11-29-12-9-22(26)10-13-29)7-8-24(21)25(18-28)20-5-3-19(16-27)4-6-20/h3-8,15,22,25H,2,9-14,17-18H2,1H3 | PDB
Reactome pathway
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198588
(4-(4-methoxyphenyl)-2-methyl-7-(3-morpholinopropox...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199598
(4-(4-(difluoromethoxy)phenyl)-7-(3-(4-fluoropiperi...)Show SMILES CN1CC(c2ccc(OC(F)F)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H31F3N2O2/c1-29-16-19-15-22(31-14-2-11-30-12-9-20(26)10-13-30)7-8-23(19)24(17-29)18-3-5-21(6-4-18)32-25(27)28/h3-8,15,20,24-25H,2,9-14,16-17H2,1H3 | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199601
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(3-methoxy...)Show SMILES COc1cccc(c1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-14-4-11-28-12-9-21(26)10-13-28)7-8-24(20)25(18-27)19-5-3-6-22(15-19)29-2/h3,5-8,15-16,21,25H,4,9-14,17-18H2,1-2H3 | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199601
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(3-methoxy...)Show SMILES COc1cccc(c1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-14-4-11-28-12-9-21(26)10-13-28)7-8-24(20)25(18-27)19-5-3-6-22(15-19)29-2/h3,5-8,15-16,21,25H,4,9-14,17-18H2,1-2H3 | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199608
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)Show SMILES CN1CC(c2ccc(C)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H33FN2O/c1-19-4-6-20(7-5-19)25-18-27(2)17-21-16-23(8-9-24(21)25)29-15-3-12-28-13-10-22(26)11-14-28/h4-9,16,22,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199603
(4-(4-ethoxyphenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CCOc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:9.9| Show InChI InChI=1S/C26H35FN2O2/c1-3-30-23-7-5-20(6-8-23)26-19-28(2)18-21-17-24(9-10-25(21)26)31-16-4-13-29-14-11-22(27)12-15-29/h5-10,17,22,26H,3-4,11-16,18-19H2,1-2H3 | PDB
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198588
(4-(4-methoxyphenyl)-2-methyl-7-(3-morpholinopropox...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199602
((S)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)Show SMILES COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25-/m0/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198590
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3 | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199594
(4-(3-chloro-4-methoxyphenyl)-7-(3-(4-fluoropiperid...)Show SMILES COc1ccc(cc1Cl)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:9.9| Show InChI InChI=1S/C25H32ClFN2O2/c1-28-16-19-14-21(31-13-3-10-29-11-8-20(27)9-12-29)5-6-22(19)23(17-28)18-4-7-25(30-2)24(26)15-18/h4-7,14-15,20,23H,3,8-13,16-17H2,1-2H3 | PDB
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199602
((S)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)Show SMILES COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25-/m0/s1 | PDB
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199596
(4-(2-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CN1CC(c2ccccc2Cl)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H30ClFN2O/c1-27-16-18-15-20(29-14-4-11-28-12-9-19(26)10-13-28)7-8-21(18)23(17-27)22-5-2-3-6-24(22)25/h2-3,5-8,15,19,23H,4,9-14,16-17H2,1H3 | PDB
Reactome pathway
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199594
(4-(3-chloro-4-methoxyphenyl)-7-(3-(4-fluoropiperid...)Show SMILES COc1ccc(cc1Cl)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:9.9| Show InChI InChI=1S/C25H32ClFN2O2/c1-28-16-19-14-21(31-13-3-10-29-11-8-20(27)9-12-29)5-6-22(19)23(17-28)18-4-7-25(30-2)24(26)15-18/h4-7,14-15,20,23H,3,8-13,16-17H2,1-2H3 | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199607
((R)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)Show SMILES COc1ccc(cc1)[C@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25+/m0/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198588
(4-(4-methoxyphenyl)-2-methyl-7-(3-morpholinopropox...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199607
((R)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)Show SMILES COc1ccc(cc1)[C@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25+/m0/s1 | PDB
Reactome pathway
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| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199603
(4-(4-ethoxyphenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CCOc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:9.9| Show InChI InChI=1S/C26H35FN2O2/c1-3-30-23-7-5-20(6-8-23)26-19-28(2)18-21-17-24(9-10-25(21)26)31-16-4-13-29-14-11-22(27)12-15-29/h5-10,17,22,26H,3-4,11-16,18-19H2,1-2H3 | PDB
Reactome pathway
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199606
(4-(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-...)Show SMILES CN1CC(c2ccc(cc2)C#N)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30FN3O/c1-28-17-21-15-23(30-14-2-11-29-12-9-22(26)10-13-29)7-8-24(21)25(18-28)20-5-3-19(16-27)4-6-20/h3-8,15,22,25H,2,9-14,17-18H2,1H3 | PDB
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| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199592
(4-(4-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CN1CC(c2ccc(Cl)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H30ClFN2O/c1-27-16-19-15-22(29-14-2-11-28-12-9-21(26)10-13-28)7-8-23(19)24(17-27)18-3-5-20(25)6-4-18/h3-8,15,21,24H,2,9-14,16-17H2,1H3 | PDB
Reactome pathway
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199605
(4-(3,4-dichlorophenyl)-7-(3-(4-fluoropiperidin-1-y...)Show SMILES CN1CC(c2ccc(Cl)c(Cl)c2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H29Cl2FN2O/c1-28-15-18-13-20(30-12-2-9-29-10-7-19(27)8-11-29)4-5-21(18)22(16-28)17-3-6-23(25)24(26)14-17/h3-6,13-14,19,22H,2,7-12,15-16H2,1H3 | PDB
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199608
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)Show SMILES CN1CC(c2ccc(C)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H33FN2O/c1-19-4-6-20(7-5-19)25-18-27(2)17-21-16-23(8-9-24(21)25)29-15-3-12-28-13-10-22(26)11-14-28/h4-9,16,22,25H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199609
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2ccc(cc2)C(F)(F)F)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30F4N2O/c1-30-16-19-15-22(32-14-2-11-31-12-9-21(26)10-13-31)7-8-23(19)24(17-30)18-3-5-20(6-4-18)25(27,28)29/h3-8,15,21,24H,2,9-14,16-17H2,1H3 | PDB
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| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199610
(4-(2,5-dichlorophenyl)-7-(3-(4-fluoropiperidin-1-y...)Show SMILES CN1CC(c2ccc(OCCCN3CCC(F)CC3)cc2C1)c1cc(Cl)ccc1Cl |w:3.24| Show InChI InChI=1S/C24H29Cl2FN2O/c1-28-15-17-13-20(30-12-2-9-29-10-7-19(27)8-11-29)4-5-21(17)23(16-28)22-14-18(25)3-6-24(22)26/h3-6,13-14,19,23H,2,7-12,15-16H2,1H3 | PDB
Reactome pathway
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| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199594
(4-(3-chloro-4-methoxyphenyl)-7-(3-(4-fluoropiperid...)Show SMILES COc1ccc(cc1Cl)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:9.9| Show InChI InChI=1S/C25H32ClFN2O2/c1-28-16-19-14-21(31-13-3-10-29-11-8-20(27)9-12-29)5-6-22(19)23(17-28)18-4-7-25(30-2)24(26)15-18/h4-7,14-15,20,23H,3,8-13,16-17H2,1-2H3 | PDB
Reactome pathway
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| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199598
(4-(4-(difluoromethoxy)phenyl)-7-(3-(4-fluoropiperi...)Show SMILES CN1CC(c2ccc(OC(F)F)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H31F3N2O2/c1-29-16-19-15-22(31-14-2-11-30-12-9-20(26)10-13-30)7-8-23(19)24(17-29)18-3-5-21(6-4-18)32-25(27)28/h3-8,15,20,24-25H,2,9-14,16-17H2,1H3 | PDB
Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199592
(4-(4-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CN1CC(c2ccc(Cl)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H30ClFN2O/c1-27-16-19-15-22(29-14-2-11-28-12-9-21(26)10-13-28)7-8-23(19)24(17-27)18-3-5-20(25)6-4-18/h3-8,15,21,24H,2,9-14,16-17H2,1H3 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199599
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2cccc(c2)C(F)(F)F)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30F4N2O/c1-30-16-19-15-22(32-13-3-10-31-11-8-21(26)9-12-31)6-7-23(19)24(17-30)18-4-2-5-20(14-18)25(27,28)29/h2,4-7,14-15,21,24H,3,8-13,16-17H2,1H3 | PDB
Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199607
((R)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)Show SMILES COc1ccc(cc1)[C@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25+/m0/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199602
((S)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)Show SMILES COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25-/m0/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199595
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)Show SMILES CN1CC(c2ccccc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H31FN2O/c1-26-17-20-16-22(28-15-5-12-27-13-10-21(25)11-14-27)8-9-23(20)24(18-26)19-6-3-2-4-7-19/h2-4,6-9,16,21,24H,5,10-15,17-18H2,1H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199608
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)Show SMILES CN1CC(c2ccc(C)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H33FN2O/c1-19-4-6-20(7-5-19)25-18-27(2)17-21-16-23(8-9-24(21)25)29-15-3-12-28-13-10-22(26)11-14-28/h4-9,16,22,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199609
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2ccc(cc2)C(F)(F)F)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30F4N2O/c1-30-16-19-15-22(32-14-2-11-31-12-9-21(26)10-13-31)7-8-23(19)24(17-30)18-3-5-20(6-4-18)25(27,28)29/h3-8,15,21,24H,2,9-14,16-17H2,1H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199604
(4-(3-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CN1CC(c2cccc(Cl)c2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H30ClFN2O/c1-27-16-19-15-22(29-13-3-10-28-11-8-21(26)9-12-28)6-7-23(19)24(17-27)18-4-2-5-20(25)14-18/h2,4-7,14-15,21,24H,3,8-13,16-17H2,1H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199599
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2cccc(c2)C(F)(F)F)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30F4N2O/c1-30-16-19-15-22(32-13-3-10-31-11-8-21(26)9-12-31)6-7-23(19)24(17-30)18-4-2-5-20(14-18)25(27,28)29/h2,4-7,14-15,21,24H,3,8-13,16-17H2,1H3 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199592
(4-(4-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CN1CC(c2ccc(Cl)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H30ClFN2O/c1-27-16-19-15-22(29-14-2-11-28-12-9-21(26)10-13-28)7-8-23(19)24(17-27)18-3-5-20(25)6-4-18/h3-8,15,21,24H,2,9-14,16-17H2,1H3 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199606
(4-(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-...)Show SMILES CN1CC(c2ccc(cc2)C#N)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30FN3O/c1-28-17-21-15-23(30-14-2-11-29-12-9-22(26)10-13-29)7-8-24(21)25(18-28)20-5-3-19(16-27)4-6-20/h3-8,15,22,25H,2,9-14,17-18H2,1H3 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199596
(4-(2-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CN1CC(c2ccccc2Cl)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H30ClFN2O/c1-27-16-18-15-20(29-14-4-11-28-12-9-19(26)10-13-28)7-8-21(18)23(17-27)22-5-2-3-6-24(22)25/h2-3,5-8,15,19,23H,4,9-14,16-17H2,1H3 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199596
(4-(2-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CN1CC(c2ccccc2Cl)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H30ClFN2O/c1-27-16-18-15-20(29-14-4-11-28-12-9-19(26)10-13-28)7-8-21(18)23(17-27)22-5-2-3-6-24(22)25/h2-3,5-8,15,19,23H,4,9-14,16-17H2,1H3 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199609
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2ccc(cc2)C(F)(F)F)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30F4N2O/c1-30-16-19-15-22(32-14-2-11-31-12-9-21(26)10-13-31)7-8-23(19)24(17-30)18-3-5-20(6-4-18)25(27,28)29/h3-8,15,21,24H,2,9-14,16-17H2,1H3 | PDB
Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199605
(4-(3,4-dichlorophenyl)-7-(3-(4-fluoropiperidin-1-y...)Show SMILES CN1CC(c2ccc(Cl)c(Cl)c2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H29Cl2FN2O/c1-28-15-18-13-20(30-12-2-9-29-10-7-19(27)8-11-29)4-5-21(18)22(16-28)17-3-6-23(25)24(26)14-17/h3-6,13-14,19,22H,2,7-12,15-16H2,1H3 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199600
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2ccc(cc2)S(C)(=O)=O)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H33FN2O3S/c1-27-17-20-16-22(31-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(8-5-19)32(2,29)30/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199604
(4-(3-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)Show SMILES CN1CC(c2cccc(Cl)c2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H30ClFN2O/c1-27-16-19-15-22(29-13-3-10-28-11-8-21(26)9-12-28)6-7-23(19)24(17-27)18-4-2-5-20(25)14-18/h2,4-7,14-15,21,24H,3,8-13,16-17H2,1H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | NCI pathway
Reactome pathway
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN uptake in human DAT expressed in CHO cells |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199599
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2cccc(c2)C(F)(F)F)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30F4N2O/c1-30-16-19-15-22(32-13-3-10-31-11-8-21(26)9-12-31)6-7-23(19)24(17-30)18-4-2-5-20(14-18)25(27,28)29/h2,4-7,14-15,21,24H,3,8-13,16-17H2,1H3 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199605
(4-(3,4-dichlorophenyl)-7-(3-(4-fluoropiperidin-1-y...)Show SMILES CN1CC(c2ccc(Cl)c(Cl)c2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H29Cl2FN2O/c1-28-15-18-13-20(30-12-2-9-29-10-7-19(27)8-11-29)4-5-21(18)22(16-28)17-3-6-23(25)24(26)14-17/h3-6,13-14,19,22H,2,7-12,15-16H2,1H3 | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199611
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2ccc(SC(F)(F)F)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30F4N2OS/c1-30-16-19-15-21(32-14-2-11-31-12-9-20(26)10-13-31)5-8-23(19)24(17-30)18-3-6-22(7-4-18)33-25(27,28)29/h3-8,15,20,24H,2,9-14,16-17H2,1H3 | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199611
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2ccc(SC(F)(F)F)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30F4N2OS/c1-30-16-19-15-21(32-14-2-11-31-12-9-20(26)10-13-31)5-8-23(19)24(17-30)18-3-6-22(7-4-18)33-25(27,28)29/h3-8,15,20,24H,2,9-14,16-17H2,1H3 | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50199611
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2ccc(SC(F)(F)F)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H30F4N2OS/c1-30-16-19-15-21(32-14-2-11-31-12-9-20(26)10-13-31)5-8-23(19)24(17-30)18-3-6-22(7-4-18)33-25(27,28)29/h3-8,15,20,24H,2,9-14,16-17H2,1H3 | PDB
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | NCI pathway
Reactome pathway
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN uptake in human DAT expressed in CHO cells |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199595
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)Show SMILES CN1CC(c2ccccc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C24H31FN2O/c1-26-17-20-16-22(28-15-5-12-27-13-10-21(25)11-14-27)8-9-23(20)24(18-26)19-6-3-2-4-7-19/h2-4,6-9,16,21,24H,5,10-15,17-18H2,1H3 | PDB
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50199602
((S)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)Show SMILES COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25-/m0/s1 | NCI pathway
Reactome pathway
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| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN uptake in human DAT expressed in CHO cells |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50199597
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | Reactome pathway
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| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]nisoxetine uptake in human NET expressed in MDCK cells |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199610
(4-(2,5-dichlorophenyl)-7-(3-(4-fluoropiperidin-1-y...)Show SMILES CN1CC(c2ccc(OCCCN3CCC(F)CC3)cc2C1)c1cc(Cl)ccc1Cl |w:3.24| Show InChI InChI=1S/C24H29Cl2FN2O/c1-28-15-17-13-20(30-12-2-9-29-10-7-19(27)8-11-29)4-5-21(17)23(16-28)22-14-18(25)3-6-24(22)26/h3-6,13-14,19,23H,2,7-12,15-16H2,1H3 | PDB
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| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50199593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | Reactome pathway
KEGG
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| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]nisoxetine uptake in human NET expressed in MDCK cells |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50199610
(4-(2,5-dichlorophenyl)-7-(3-(4-fluoropiperidin-1-y...)Show SMILES CN1CC(c2ccc(OCCCN3CCC(F)CC3)cc2C1)c1cc(Cl)ccc1Cl |w:3.24| Show InChI InChI=1S/C24H29Cl2FN2O/c1-28-15-17-13-20(30-12-2-9-29-10-7-19(27)8-11-29)4-5-21(17)23(16-28)22-14-18(25)3-6-24(22)26/h3-6,13-14,19,23H,2,7-12,15-16H2,1H3 | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50199602
((S)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)Show SMILES COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12 Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]nisoxetine uptake in human NET expressed in MDCK cells |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199600
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)Show SMILES CN1CC(c2ccc(cc2)S(C)(=O)=O)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H33FN2O3S/c1-27-17-20-16-22(31-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(8-5-19)32(2,29)30/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this
Ligand-Target Pair | |
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