Found 90 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)) | BDBM50198598
(CHEMBL396945 | N-ethyl-3-(4-(4-methoxyphenyl)-2-me...)Show SMILES CCNCCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:11.19| Show InChI InChI=1S/C22H30N2O2/c1-4-23-12-5-13-26-20-10-11-21-18(14-20)15-24(2)16-22(21)17-6-8-19(25-3)9-7-17/h6-11,14,22-23H,4-5,12-13,15-16H2,1-3H3 | PDB
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PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198609
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12 |w:8.8| Show InChI InChI=1S/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198585
(7-(3-(4-isopropylpiperazin-1-yl)propoxy)-4-(4-meth...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)C)ccc12 |w:8.8| Show InChI InChI=1S/C27H39N3O2/c1-21(2)30-15-13-29(14-16-30)12-5-17-32-25-10-11-26-23(18-25)19-28(3)20-27(26)22-6-8-24(31-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198599
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(O)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O3/c1-26-17-20-16-23(30-15-3-12-27-13-10-21(28)11-14-27)8-9-24(20)25(18-26)19-4-6-22(29-2)7-5-19/h4-9,16,21,25,28H,3,10-15,17-18H2,1-2H3 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198607
(7-(3-(4-ethylpiperazin-1-yl)propoxy)-4-(4-methoxyp...)Show SMILES CCN1CCN(CCCOc2ccc3C(CN(C)Cc3c2)c2ccc(OC)cc2)CC1 |w:14.22| Show InChI InChI=1S/C26H37N3O2/c1-4-28-13-15-29(16-14-28)12-5-17-31-24-10-11-25-22(18-24)19-27(2)20-26(25)21-6-8-23(30-3)9-7-21/h6-11,18,26H,4-5,12-17,19-20H2,1-3H3 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198596
(CHEMBL427845 | N,N-diethyl-3-(4-(4-methoxyphenyl)-...)Show SMILES CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:13.21| Show InChI InChI=1S/C24H34N2O2/c1-5-26(6-2)14-7-15-28-22-12-13-23-20(16-22)17-25(3)18-24(23)19-8-10-21(27-4)11-9-19/h8-13,16,24H,5-7,14-15,17-18H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198585
(7-(3-(4-isopropylpiperazin-1-yl)propoxy)-4-(4-meth...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)C)ccc12 |w:8.8| Show InChI InChI=1S/C27H39N3O2/c1-21(2)30-15-13-29(14-16-30)12-5-17-32-25-10-11-26-23(18-25)19-28(3)20-27(26)22-6-8-24(31-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198604
(7-(3-(3,3-difluoroazetidin-1-yl)propoxy)-4-(4-meth...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C23H28F2N2O2/c1-26-13-18-12-20(29-11-3-10-27-15-23(24,25)16-27)8-9-21(18)22(14-26)17-4-6-19(28-2)7-5-17/h4-9,12,22H,3,10-11,13-16H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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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PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198607
(7-(3-(4-ethylpiperazin-1-yl)propoxy)-4-(4-methoxyp...)Show SMILES CCN1CCN(CCCOc2ccc3C(CN(C)Cc3c2)c2ccc(OC)cc2)CC1 |w:14.22| Show InChI InChI=1S/C26H37N3O2/c1-4-28-13-15-29(16-14-28)12-5-17-31-24-10-11-25-22(18-24)19-27(2)20-26(25)21-6-8-23(30-3)9-7-21/h6-11,18,26H,4-5,12-17,19-20H2,1-3H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198602
((1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CO)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C26H36N2O3/c1-27-17-22-16-24(31-15-3-12-28-13-10-20(19-29)11-14-28)8-9-25(22)26(18-27)21-4-6-23(30-2)7-5-21/h4-9,16,20,26,29H,3,10-15,17-19H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198596
(CHEMBL427845 | N,N-diethyl-3-(4-(4-methoxyphenyl)-...)Show SMILES CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:13.21| Show InChI InChI=1S/C24H34N2O2/c1-5-26(6-2)14-7-15-28-22-12-13-23-20(16-22)17-25(3)18-24(23)19-8-10-21(27-4)11-9-19/h8-13,16,24H,5-7,14-15,17-18H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198605
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(thiazol-2-yl...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3nccs3)ccc12 |w:8.8| Show InChI InChI=1S/C27H34N4O2S/c1-29-19-22-18-24(8-9-25(22)26(20-29)21-4-6-23(32-2)7-5-21)33-16-3-11-30-12-14-31(15-13-30)27-28-10-17-34-27/h4-10,17-18,26H,3,11-16,19-20H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198604
(7-(3-(3,3-difluoroazetidin-1-yl)propoxy)-4-(4-meth...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C23H28F2N2O2/c1-26-13-18-12-20(29-11-3-10-27-15-23(24,25)16-27)8-9-21(18)22(14-26)17-4-6-19(28-2)7-5-17/h4-9,12,22H,3,10-11,13-16H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198586
(CHEMBL232660 | N-(3-(4-(4-methoxyphenyl)-2-methyl-...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCNC3CC3)ccc12 |w:8.8| Show InChI InChI=1S/C23H30N2O2/c1-25-15-18-14-21(27-13-3-12-24-19-6-7-19)10-11-22(18)23(16-25)17-4-8-20(26-2)9-5-17/h4-5,8-11,14,19,23-24H,3,6-7,12-13,15-16H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198602
((1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CO)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C26H36N2O3/c1-27-17-22-16-24(31-15-3-12-28-13-10-20(19-29)11-14-28)8-9-25(22)26(18-27)21-4-6-23(30-2)7-5-21/h4-9,16,20,26,29H,3,10-15,17-19H2,1-2H3 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198603
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(pyridin-4-yl...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccncc3)ccc12 |w:8.8| Show InChI InChI=1S/C29H36N4O2/c1-31-21-24-20-27(8-9-28(24)29(22-31)23-4-6-26(34-2)7-5-23)35-19-3-14-32-15-17-33(18-16-32)25-10-12-30-13-11-25/h4-13,20,29H,3,14-19,21-22H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198589
(4-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)C#N)ccc12 |w:8.8| Show InChI InChI=1S/C31H36N4O2/c1-33-22-26-20-29(12-13-30(26)31(23-33)25-6-10-28(36-2)11-7-25)37-19-3-14-34-15-17-35(18-16-34)27-8-4-24(21-32)5-9-27/h4-13,20,31H,3,14-19,22-23H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198598
(CHEMBL396945 | N-ethyl-3-(4-(4-methoxyphenyl)-2-me...)Show SMILES CCNCCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:11.19| Show InChI InChI=1S/C22H30N2O2/c1-4-23-12-5-13-26-20-10-11-21-18(14-20)15-24(2)16-22(21)17-6-8-19(25-3)9-7-17/h6-11,14,22-23H,4-5,12-13,15-16H2,1-3H3 | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198599
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(O)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O3/c1-26-17-20-16-23(30-15-3-12-27-13-10-21(28)11-14-27)8-9-24(20)25(18-26)19-4-6-22(29-2)7-5-19/h4-9,16,21,25,28H,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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198609
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12 |w:8.8| Show InChI InChI=1S/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3 | PDB
Reactome pathway
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198596
(CHEMBL427845 | N,N-diethyl-3-(4-(4-methoxyphenyl)-...)Show SMILES CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:13.21| Show InChI InChI=1S/C24H34N2O2/c1-5-26(6-2)14-7-15-28-22-12-13-23-20(16-22)17-25(3)18-24(23)19-8-10-21(27-4)11-9-19/h8-13,16,24H,5-7,14-15,17-18H2,1-4H3 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198603
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(pyridin-4-yl...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccncc3)ccc12 |w:8.8| Show InChI InChI=1S/C29H36N4O2/c1-31-21-24-20-27(8-9-28(24)29(22-31)23-4-6-26(34-2)7-5-23)35-19-3-14-32-15-17-33(18-16-32)25-10-12-30-13-11-25/h4-13,20,29H,3,14-19,21-22H2,1-2H3 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198609
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12 |w:8.8| Show InChI InChI=1S/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198603
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(pyridin-4-yl...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccncc3)ccc12 |w:8.8| Show InChI InChI=1S/C29H36N4O2/c1-31-21-24-20-27(8-9-28(24)29(22-31)23-4-6-26(34-2)7-5-23)35-19-3-14-32-15-17-33(18-16-32)25-10-12-30-13-11-25/h4-13,20,29H,3,14-19,21-22H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198595
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C#N)ccc12 |w:8.8| Show InChI InChI=1S/C26H33N3O2/c1-28-18-22-16-24(31-15-3-12-29-13-10-20(17-27)11-14-29)8-9-25(22)26(19-28)21-4-6-23(30-2)7-5-21/h4-9,16,20,26H,3,10-15,18-19H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198605
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(thiazol-2-yl...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3nccs3)ccc12 |w:8.8| Show InChI InChI=1S/C27H34N4O2S/c1-29-19-22-18-24(8-9-25(22)26(20-29)21-4-6-23(32-2)7-5-21)33-16-3-11-30-12-14-31(15-13-30)27-28-10-17-34-27/h4-10,17-18,26H,3,11-16,19-20H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198595
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C#N)ccc12 |w:8.8| Show InChI InChI=1S/C26H33N3O2/c1-28-18-22-16-24(31-15-3-12-29-13-10-20(17-27)11-14-29)8-9-25(22)26(19-28)21-4-6-23(30-2)7-5-21/h4-9,16,20,26H,3,10-15,18-19H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198592
(2-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccccc3O)ccc12 |w:8.8| Show InChI InChI=1S/C30H37N3O3/c1-31-21-24-20-26(12-13-27(24)28(22-31)23-8-10-25(35-2)11-9-23)36-19-5-14-32-15-17-33(18-16-32)29-6-3-4-7-30(29)34/h3-4,6-13,20,28,34H,5,14-19,21-22H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198612
(7-(3-(4,4-difluoropiperidin-1-yl)propoxy)-4-(4-met...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H32F2N2O2/c1-28-17-20-16-22(31-15-3-12-29-13-10-25(26,27)11-14-29)8-9-23(20)24(18-28)19-4-6-21(30-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198591
(7-[3-(1,1-dioxo-1lambda*6*-thiomorpholin-4-yl)-pro...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCS(=O)(=O)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O4S/c1-25-17-20-16-22(30-13-3-10-26-11-14-31(27,28)15-12-26)8-9-23(20)24(18-25)19-4-6-21(29-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198612
(7-(3-(4,4-difluoropiperidin-1-yl)propoxy)-4-(4-met...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H32F2N2O2/c1-28-17-20-16-22(31-15-3-12-29-13-10-25(26,27)11-14-29)8-9-23(20)24(18-28)19-4-6-21(30-2)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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198592
(2-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccccc3O)ccc12 |w:8.8| Show InChI InChI=1S/C30H37N3O3/c1-31-21-24-20-26(12-13-27(24)28(22-31)23-8-10-25(35-2)11-9-23)36-19-5-14-32-15-17-33(18-16-32)29-6-3-4-7-30(29)34/h3-4,6-13,20,28,34H,5,14-19,21-22H2,1-2H3 | PDB
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| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198600
(7-(3-(3,3-difluoropyrrolidin-1-yl)propoxy)-4-(4-me...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C24H30F2N2O2/c1-27-15-19-14-21(30-13-3-11-28-12-10-24(25,26)17-28)8-9-22(19)23(16-27)18-4-6-20(29-2)7-5-18/h4-9,14,23H,3,10-13,15-17H2,1-2H3 | PDB
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198597
(CHEMBL232661 | N-cyclopropyl-N-(3-(4-(4-methoxyphe...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN(C3CC3)C3CC3)ccc12 |w:8.8| Show InChI InChI=1S/C26H34N2O2/c1-27-17-20-16-24(30-15-3-14-28(21-6-7-21)22-8-9-22)12-13-25(20)26(18-27)19-4-10-23(29-2)11-5-19/h4-5,10-13,16,21-22,26H,3,6-9,14-15,17-18H2,1-2H3 | PDB
Reactome pathway
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| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198595
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C#N)ccc12 |w:8.8| Show InChI InChI=1S/C26H33N3O2/c1-28-18-22-16-24(31-15-3-12-29-13-10-20(17-27)11-14-29)8-9-25(22)26(19-28)21-4-6-23(30-2)7-5-21/h4-9,16,20,26H,3,10-15,18-19H2,1-2H3 | PDB
Reactome pathway
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| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198597
(CHEMBL232661 | N-cyclopropyl-N-(3-(4-(4-methoxyphe...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN(C3CC3)C3CC3)ccc12 |w:8.8| Show InChI InChI=1S/C26H34N2O2/c1-27-17-20-16-24(30-15-3-14-28(21-6-7-21)22-8-9-22)12-13-25(20)26(18-27)19-4-10-23(29-2)11-5-19/h4-5,10-13,16,21-22,26H,3,6-9,14-15,17-18H2,1-2H3 | PDB
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| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198589
(4-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)C#N)ccc12 |w:8.8| Show InChI InChI=1S/C31H36N4O2/c1-33-22-26-20-29(12-13-30(26)31(23-33)25-6-10-28(36-2)11-7-25)37-19-3-14-34-15-17-35(18-16-34)27-8-4-24(21-32)5-9-27/h4-13,20,31H,3,14-19,22-23H2,1-2H3 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198600
(7-(3-(3,3-difluoropyrrolidin-1-yl)propoxy)-4-(4-me...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C24H30F2N2O2/c1-27-15-19-14-21(30-13-3-11-28-12-10-24(25,26)17-28)8-9-22(19)23(16-27)18-4-6-20(29-2)7-5-18/h4-9,14,23H,3,10-13,15-17H2,1-2H3 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198611
(7-(3-(3,3-difluoropiperidin-1-yl)propoxy)-4-(4-met...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C25H32F2N2O2/c1-28-16-20-15-22(31-14-4-13-29-12-3-11-25(26,27)18-29)9-10-23(20)24(17-28)19-5-7-21(30-2)8-6-19/h5-10,15,24H,3-4,11-14,16-18H2,1-2H3 | PDB
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198587
((4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)c3cccn3C)ccc12 |w:8.8| Show InChI InChI=1S/C30H38N4O3/c1-31-21-24-20-26(11-12-27(24)28(22-31)23-7-9-25(36-3)10-8-23)37-19-5-14-33-15-17-34(18-16-33)30(35)29-6-4-13-32(29)2/h4,6-13,20,28H,5,14-19,21-22H2,1-3H3 | PDB
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| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198612
(7-(3-(4,4-difluoropiperidin-1-yl)propoxy)-4-(4-met...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H32F2N2O2/c1-28-17-20-16-22(31-15-3-12-29-13-10-25(26,27)11-14-29)8-9-23(20)24(18-28)19-4-6-21(30-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198587
((4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)c3cccn3C)ccc12 |w:8.8| Show InChI InChI=1S/C30H38N4O3/c1-31-21-24-20-26(11-12-27(24)28(22-31)23-7-9-25(36-3)10-8-23)37-19-5-14-33-15-17-34(18-16-33)30(35)29-6-4-13-32(29)2/h4,6-13,20,28H,5,14-19,21-22H2,1-3H3 | PDB
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| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198602
((1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CO)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C26H36N2O3/c1-27-17-22-16-24(31-15-3-12-28-13-10-20(19-29)11-14-28)8-9-25(22)26(18-27)21-4-6-23(30-2)7-5-21/h4-9,16,20,26,29H,3,10-15,17-19H2,1-2H3 | PDB
Reactome pathway
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198600
(7-(3-(3,3-difluoropyrrolidin-1-yl)propoxy)-4-(4-me...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C24H30F2N2O2/c1-27-15-19-14-21(30-13-3-11-28-12-10-24(25,26)17-28)8-9-22(19)23(16-27)18-4-6-20(29-2)7-5-18/h4-9,14,23H,3,10-13,15-17H2,1-2H3 | PDB
Reactome pathway
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198597
(CHEMBL232661 | N-cyclopropyl-N-(3-(4-(4-methoxyphe...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN(C3CC3)C3CC3)ccc12 |w:8.8| Show InChI InChI=1S/C26H34N2O2/c1-27-17-20-16-24(30-15-3-14-28(21-6-7-21)22-8-9-22)12-13-25(20)26(18-27)19-4-10-23(29-2)11-5-19/h4-5,10-13,16,21-22,26H,3,6-9,14-15,17-18H2,1-2H3 | PDB
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198585
(7-(3-(4-isopropylpiperazin-1-yl)propoxy)-4-(4-meth...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)C)ccc12 |w:8.8| Show InChI InChI=1S/C27H39N3O2/c1-21(2)30-15-13-29(14-16-30)12-5-17-32-25-10-11-26-23(18-25)19-28(3)20-27(26)22-6-8-24(31-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198613
(7-(3-(4-cyclopropylpiperazin-1-yl)propoxy)-4-(4-me...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C3CC3)ccc12 |w:8.8| Show InChI InChI=1S/C27H37N3O2/c1-28-19-22-18-25(32-17-3-12-29-13-15-30(16-14-29)23-6-7-23)10-11-26(22)27(20-28)21-4-8-24(31-2)9-5-21/h4-5,8-11,18,23,27H,3,6-7,12-17,19-20H2,1-2H3 | PDB
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198611
(7-(3-(3,3-difluoropiperidin-1-yl)propoxy)-4-(4-met...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C25H32F2N2O2/c1-28-16-20-15-22(31-14-4-13-29-12-3-11-25(26,27)18-29)9-10-23(20)24(17-28)19-5-7-21(30-2)8-6-19/h5-10,15,24H,3-4,11-14,16-18H2,1-2H3 | PDB
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198599
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(O)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O3/c1-26-17-20-16-23(30-15-3-12-27-13-10-21(28)11-14-27)8-9-24(20)25(18-26)19-4-6-22(29-2)7-5-19/h4-9,16,21,25,28H,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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198607
(7-(3-(4-ethylpiperazin-1-yl)propoxy)-4-(4-methoxyp...)Show SMILES CCN1CCN(CCCOc2ccc3C(CN(C)Cc3c2)c2ccc(OC)cc2)CC1 |w:14.22| Show InChI InChI=1S/C26H37N3O2/c1-4-28-13-15-29(16-14-28)12-5-17-31-24-10-11-25-22(18-24)19-27(2)20-26(25)21-6-8-23(30-3)9-7-21/h6-11,18,26H,4-5,12-17,19-20H2,1-3H3 | PDB
Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198591
(7-[3-(1,1-dioxo-1lambda*6*-thiomorpholin-4-yl)-pro...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCS(=O)(=O)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O4S/c1-25-17-20-16-22(30-13-3-10-26-11-14-31(27,28)15-12-26)8-9-23(20)24(18-25)19-4-6-21(29-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198611
(7-(3-(3,3-difluoropiperidin-1-yl)propoxy)-4-(4-met...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C25H32F2N2O2/c1-28-16-20-15-22(31-14-4-13-29-12-3-11-25(26,27)18-29)9-10-23(20)24(17-28)19-5-7-21(30-2)8-6-19/h5-10,15,24H,3-4,11-14,16-18H2,1-2H3 | PDB
Reactome pathway
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198610
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(trifluoromet...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C(F)(F)F)ccc12 |w:8.8| Show InChI InChI=1S/C26H33F3N2O2/c1-30-17-20-16-23(33-15-3-12-31-13-10-21(11-14-31)26(27,28)29)8-9-24(20)25(18-30)19-4-6-22(32-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198594
(1-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)C(C)C)ccc12 |w:8.8| Show InChI InChI=1S/C28H39N3O3/c1-21(2)28(32)31-15-13-30(14-16-31)12-5-17-34-25-10-11-26-23(18-25)19-29(3)20-27(26)22-6-8-24(33-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198608
(1-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)=O)ccc12 |w:8.8| Show InChI InChI=1S/C26H35N3O3/c1-20(30)29-14-12-28(13-15-29)11-4-16-32-24-9-10-25-22(17-24)18-27(2)19-26(25)21-5-7-23(31-3)8-6-21/h5-10,17,26H,4,11-16,18-19H2,1-3H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198594
(1-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)C(C)C)ccc12 |w:8.8| Show InChI InChI=1S/C28H39N3O3/c1-21(2)28(32)31-15-13-30(14-16-31)12-5-17-34-25-10-11-26-23(18-25)19-29(3)20-27(26)22-6-8-24(33-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198613
(7-(3-(4-cyclopropylpiperazin-1-yl)propoxy)-4-(4-me...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C3CC3)ccc12 |w:8.8| Show InChI InChI=1S/C27H37N3O2/c1-28-19-22-18-25(32-17-3-12-29-13-15-30(16-14-29)23-6-7-23)10-11-26(22)27(20-28)21-4-8-24(31-2)9-5-21/h4-5,8-11,18,23,27H,3,6-7,12-17,19-20H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198606
(1-(4-ethylphenyl)-3-methyl-6-(4-(4-(1-phenylvinyl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)c3ccncc3)ccc12 |w:8.8| Show InChI InChI=1S/C30H36N4O3/c1-32-21-25-20-27(8-9-28(25)29(22-32)23-4-6-26(36-2)7-5-23)37-19-3-14-33-15-17-34(18-16-33)30(35)24-10-12-31-13-11-24/h4-13,20,29H,3,14-19,21-22H2,1-2H3 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198610
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(trifluoromet...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C(F)(F)F)ccc12 |w:8.8| Show InChI InChI=1S/C26H33F3N2O2/c1-30-17-20-16-23(33-15-3-12-31-13-10-21(11-14-31)26(27,28)29)8-9-24(20)25(18-30)19-4-6-22(32-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198586
(CHEMBL232660 | N-(3-(4-(4-methoxyphenyl)-2-methyl-...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCNC3CC3)ccc12 |w:8.8| Show InChI InChI=1S/C23H30N2O2/c1-25-15-18-14-21(27-13-3-12-24-19-6-7-19)10-11-22(18)23(16-25)17-4-8-20(26-2)9-5-17/h4-5,8-11,14,19,23-24H,3,6-7,12-13,15-16H2,1-2H3 | PDB
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| 19.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198606
(1-(4-ethylphenyl)-3-methyl-6-(4-(4-(1-phenylvinyl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)c3ccncc3)ccc12 |w:8.8| Show InChI InChI=1S/C30H36N4O3/c1-32-21-25-20-27(8-9-28(25)29(22-32)23-4-6-26(36-2)7-5-23)37-19-3-14-33-15-17-34(18-16-33)30(35)24-10-12-31-13-11-24/h4-13,20,29H,3,14-19,21-22H2,1-2H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198601
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(4-(trifluoro...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)C(F)(F)F)ccc12 |w:8.8| Show InChI InChI=1S/C31H36F3N3O2/c1-35-21-24-20-28(12-13-29(24)30(22-35)23-4-10-27(38-2)11-5-23)39-19-3-14-36-15-17-37(18-16-36)26-8-6-25(7-9-26)31(32,33)34/h4-13,20,30H,3,14-19,21-22H2,1-2H3 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198613
(7-(3-(4-cyclopropylpiperazin-1-yl)propoxy)-4-(4-me...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C3CC3)ccc12 |w:8.8| Show InChI InChI=1S/C27H37N3O2/c1-28-19-22-18-25(32-17-3-12-29-13-15-30(16-14-29)23-6-7-23)10-11-26(22)27(20-28)21-4-8-24(31-2)9-5-21/h4-5,8-11,18,23,27H,3,6-7,12-17,19-20H2,1-2H3 | PDB
Reactome pathway
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198601
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(4-(trifluoro...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)C(F)(F)F)ccc12 |w:8.8| Show InChI InChI=1S/C31H36F3N3O2/c1-35-21-24-20-28(12-13-29(24)30(22-35)23-4-10-27(38-2)11-5-23)39-19-3-14-36-15-17-37(18-16-36)26-8-6-25(7-9-26)31(32,33)34/h4-13,20,30H,3,14-19,21-22H2,1-2H3 | PDB
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PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198586
(CHEMBL232660 | N-(3-(4-(4-methoxyphenyl)-2-methyl-...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCNC3CC3)ccc12 |w:8.8| Show InChI InChI=1S/C23H30N2O2/c1-25-15-18-14-21(27-13-3-12-24-19-6-7-19)10-11-22(18)23(16-25)17-4-8-20(26-2)9-5-17/h4-5,8-11,14,19,23-24H,3,6-7,12-13,15-16H2,1-2H3 | PDB
Reactome pathway
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PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198610
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(trifluoromet...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C(F)(F)F)ccc12 |w:8.8| Show InChI InChI=1S/C26H33F3N2O2/c1-30-17-20-16-23(33-15-3-12-31-13-10-21(11-14-31)26(27,28)29)8-9-24(20)25(18-30)19-4-6-22(32-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
KEGG
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PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198608
(1-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)=O)ccc12 |w:8.8| Show InChI InChI=1S/C26H35N3O3/c1-20(30)29-14-12-28(13-15-29)11-4-16-32-24-9-10-25-22(17-24)18-27(2)19-26(25)21-5-7-23(31-3)8-6-21/h5-10,17,26H,4,11-16,18-19H2,1-3H3 | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198598
(CHEMBL396945 | N-ethyl-3-(4-(4-methoxyphenyl)-2-me...)Show SMILES CCNCCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:11.19| Show InChI InChI=1S/C22H30N2O2/c1-4-23-12-5-13-26-20-10-11-21-18(14-20)15-24(2)16-22(21)17-6-8-19(25-3)9-7-17/h6-11,14,22-23H,4-5,12-13,15-16H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198604
(7-(3-(3,3-difluoroazetidin-1-yl)propoxy)-4-(4-meth...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C23H28F2N2O2/c1-26-13-18-12-20(29-11-3-10-27-15-23(24,25)16-27)8-9-21(18)22(14-26)17-4-6-19(28-2)7-5-17/h4-9,12,22H,3,10-11,13-16H2,1-2H3 | PDB
Reactome pathway
KEGG
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PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198591
(7-[3-(1,1-dioxo-1lambda*6*-thiomorpholin-4-yl)-pro...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCS(=O)(=O)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O4S/c1-25-17-20-16-22(30-13-3-10-26-11-14-31(27,28)15-12-26)8-9-23(20)24(18-25)19-4-6-21(29-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3 | PDB
Reactome pathway
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PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198589
(4-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)C#N)ccc12 |w:8.8| Show InChI InChI=1S/C31H36N4O2/c1-33-22-26-20-29(12-13-30(26)31(23-33)25-6-10-28(36-2)11-7-25)37-19-3-14-34-15-17-35(18-16-34)27-8-4-24(21-32)5-9-27/h4-13,20,31H,3,14-19,22-23H2,1-2H3 | PDB
Reactome pathway
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PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198608
(1-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)=O)ccc12 |w:8.8| Show InChI InChI=1S/C26H35N3O3/c1-20(30)29-14-12-28(13-15-29)11-4-16-32-24-9-10-25-22(17-24)18-27(2)19-26(25)21-5-7-23(31-3)8-6-21/h5-10,17,26H,4,11-16,18-19H2,1-3H3 | PDB
Reactome pathway
KEGG
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PubMed
| 267 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198605
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(thiazol-2-yl...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3nccs3)ccc12 |w:8.8| Show InChI InChI=1S/C27H34N4O2S/c1-29-19-22-18-24(8-9-25(22)26(20-29)21-4-6-23(32-2)7-5-21)33-16-3-11-30-12-14-31(15-13-30)27-28-10-17-34-27/h4-10,17-18,26H,3,11-16,19-20H2,1-2H3 | PDB
Reactome pathway
KEGG
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PubMed
| 268 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198594
(1-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)C(C)C)ccc12 |w:8.8| Show InChI InChI=1S/C28H39N3O3/c1-21(2)28(32)31-15-13-30(14-16-31)12-5-17-34-25-10-11-26-23(18-25)19-29(3)20-27(26)22-6-8-24(33-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3 | PDB
Reactome pathway
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| 509 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198592
(2-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetr...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccccc3O)ccc12 |w:8.8| Show InChI InChI=1S/C30H37N3O3/c1-31-21-24-20-26(12-13-27(24)28(22-31)23-8-10-25(35-2)11-9-23)36-19-5-14-32-15-17-33(18-16-32)29-6-3-4-7-30(29)34/h3-4,6-13,20,28,34H,5,14-19,21-22H2,1-2H3 | PDB
Reactome pathway
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| 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198601
(4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(4-(trifluoro...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)C(F)(F)F)ccc12 |w:8.8| Show InChI InChI=1S/C31H36F3N3O2/c1-35-21-24-20-28(12-13-29(24)30(22-35)23-4-10-27(38-2)11-5-23)39-19-3-14-36-15-17-37(18-16-36)26-8-6-25(7-9-26)31(32,33)34/h4-13,20,30H,3,14-19,21-22H2,1-2H3 | PDB
Reactome pathway
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| 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198587
((4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)c3cccn3C)ccc12 |w:8.8| Show InChI InChI=1S/C30H38N4O3/c1-31-21-24-20-26(11-12-27(24)28(22-31)23-7-9-25(36-3)10-8-23)37-19-5-14-33-15-17-34(18-16-33)30(35)29-6-4-13-32(29)2/h4,6-13,20,28H,5,14-19,21-22H2,1-3H3 | PDB
Reactome pathway
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| 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198606
(1-(4-ethylphenyl)-3-methyl-6-(4-(4-(1-phenylvinyl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)c3ccncc3)ccc12 |w:8.8| Show InChI InChI=1S/C30H36N4O3/c1-32-21-25-20-27(8-9-28(25)29(22-32)23-4-6-26(36-2)7-5-23)37-19-3-14-33-15-17-34(18-16-33)30(35)24-10-12-31-13-11-24/h4-13,20,29H,3,14-19,21-22H2,1-2H3 | PDB
Reactome pathway
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| 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
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
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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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this
Ligand-Target Pair | |
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