Found 15823 hits with Last Name = 'letavic' and Initial = 'ma' 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)) | BDBM50217586
(CHEMBL442080 | N-(4-(3-((methylamino)methyl)-4-(4-...)Show InChI InChI=1S/C22H26N2OS/c1-23-16-18-15-17(5-3-4-14-24-19-7-8-19)6-13-22(18)25-20-9-11-21(26-2)12-10-20/h6,9-13,15,19,23-24H,4,7-8,14,16H2,1-2H3 | PDB
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PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217575
(4-(4-(3-((methylamino)methyl)-4-(4-(methylthio)phe...)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCNC(=O)C1 Show InChI InChI=1S/C23H27N3O2S/c1-24-16-19-15-18(5-3-4-13-26-14-12-25-23(27)17-26)6-11-22(19)28-20-7-9-21(29-2)10-8-20/h6-11,15,24H,4,12-14,16-17H2,1-2H3,(H,25,27) | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217584
((5-(4-(4-isopropylpiperazin-1-yl)butyl)-2-(4-(meth...)Show SMILES CNCc1cc(CCCCN2CCN(CC2)C(C)C)ccc1Oc1ccc(SC)cc1 Show InChI InChI=1S/C26H39N3OS/c1-21(2)29-17-15-28(16-18-29)14-6-5-7-22-8-13-26(23(19-22)20-27-3)30-24-9-11-25(31-4)12-10-24/h8-13,19,21,27H,5-7,14-18,20H2,1-4H3 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50028059
(CHEMBL3338866)Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC Show InChI InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec... |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217593
((5-bromo-2-(4-(methylthio)phenoxy)phenyl)-N-methyl...)Show InChI InChI=1S/C15H16BrNOS/c1-17-10-11-9-12(16)3-8-15(11)18-13-4-6-14(19-2)7-5-13/h3-9,17H,10H2,1-2H3 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217592
((5-(4-(4-isopropylpiperazin-1-yl)but-1-ynyl)-2-(4-...)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(CC1)C(C)C Show InChI InChI=1S/C26H35N3OS/c1-21(2)29-17-15-28(16-18-29)14-6-5-7-22-8-13-26(23(19-22)20-27-3)30-24-9-11-25(31-4)12-10-24/h8-13,19,21,27H,6,14-18,20H2,1-4H3 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371305
(CHEMBL272077)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-11-4-12-27(14-13-26)23(28)18-5-10-22(19(15-18)16-25-3)29-21-8-6-20(24)7-9-21/h5-10,15,17,25H,4,11-14,16H2,1-3H3 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50159110
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217579
((5-(4-(4-fluoropiperidin-1-yl)but-1-ynyl)-2-(4-(me...)Show InChI InChI=1S/C24H29FN2OS/c1-26-18-20-17-19(5-3-4-14-27-15-12-21(25)13-16-27)6-11-24(20)28-22-7-9-23(29-2)10-8-22/h6-11,17,21,26H,4,12-16,18H2,1-2H3 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217590
((5-(4-(4-cyclopropylpiperazin-1-yl)butyl)-2-(4-(me...)Show SMILES CNCc1cc(CCCCN2CCN(CC2)C2CC2)ccc1Oc1ccc(SC)cc1 Show InChI InChI=1S/C26H37N3OS/c1-27-20-22-19-21(6-13-26(22)30-24-9-11-25(31-2)12-10-24)5-3-4-14-28-15-17-29(18-16-28)23-7-8-23/h6,9-13,19,23,27H,3-5,7-8,14-18,20H2,1-2H3 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50159110
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co... |
Bioorg Med Chem Lett 20: 6226-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50217589
((6S,10bR)-6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl...)Show SMILES COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12 Show InChI InChI=1S/C27H36N2O2/c1-30-22-10-8-21(9-11-22)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)31-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3/t26-,27+/m0/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50217572
(CHEMBL393036 | N-methyl(2-(4-(methylthio)phenoxy)-...)Show InChI InChI=1S/C24H30N2OS/c1-25-19-21-18-20(8-4-7-17-26-15-5-3-6-16-26)9-14-24(21)27-22-10-12-23(28-2)13-11-22/h9-14,18,25H,3,5-7,15-17,19H2,1-2H3 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50217589
((6S,10bR)-6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl...)Show SMILES COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12 Show InChI InChI=1S/C27H36N2O2/c1-30-22-10-8-21(9-11-22)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)31-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3/t26-,27+/m0/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50089369
(CHEMBL3577959)Show SMILES FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CCC2)CC1 Show InChI InChI=1S/C21H30FN3O/c22-19-8-10-23(11-9-19)16-17-4-6-18(7-5-17)21(26)25-14-12-24(13-15-25)20-2-1-3-20/h4-7,19-20H,1-3,8-16H2 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins |
ACS Med Chem Lett 6: 450-4 (2015)
Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217565
((5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2...)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCCN(CC1)C(C)C Show InChI InChI=1S/C27H37N3OS/c1-22(2)30-17-7-16-29(18-19-30)15-6-5-8-23-9-14-27(24(20-23)21-28-3)31-25-10-12-26(32-4)13-11-25/h9-14,20,22,28H,6-7,15-19,21H2,1-4H3 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217572
(CHEMBL393036 | N-methyl(2-(4-(methylthio)phenoxy)-...)Show InChI InChI=1S/C24H30N2OS/c1-25-19-21-18-20(8-4-7-17-26-15-5-3-6-16-26)9-14-24(21)27-22-10-12-23(28-2)13-11-22/h9-14,18,25H,3,5-7,15-17,19H2,1-2H3 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371294
(CHEMBL257208)Show SMILES CNCc1cc(ccc1Oc1cccc(c1)C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-19(6-9-23(20)30-22-5-2-4-18(14-22)16-25)24(29)28-11-3-10-27(12-13-28)21-7-8-21/h2,4-6,9,14-15,21,26H,3,7-8,10-13,17H2,1H3 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
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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| 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
(Homo sapiens (Human)) | BDBM50217576
(CHEMBL236046 | N-methyl(2-(4-(methylthio)phenoxy)-...)Show InChI InChI=1S/C23H28N2O2S/c1-24-18-20-17-19(5-3-4-12-25-13-15-26-16-14-25)6-11-23(20)27-21-7-9-22(28-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371290
(CHEMBL401683)Show SMILES CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2/c1-24-17-19-16-18(8-11-22(19)28-21-6-3-2-4-7-21)23(27)26-13-5-12-25(14-15-26)20-9-10-20/h2-4,6-8,11,16,20,24H,5,9-10,12-15,17H2,1H3 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371289
(CHEMBL258349)Show SMILES CNCc1cc(ccc1Oc1ccc(F)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50217576
(CHEMBL236046 | N-methyl(2-(4-(methylthio)phenoxy)-...)Show InChI InChI=1S/C23H28N2O2S/c1-24-18-20-17-19(5-3-4-12-25-13-15-26-16-14-25)6-11-23(20)27-21-7-9-22(28-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50217569
(4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...)Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co... |
Bioorg Med Chem Lett 20: 6226-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50328940
((4-isopropyl-1,4-diazepan-1-yl)(1-methyl-3-(morpho...)Show SMILES CC(C)N1CCCN(CC1)C(=O)c1ccc2c(CN3CCOCC3)cn(C)c2c1 Show InChI InChI=1S/C23H34N4O2/c1-18(2)26-7-4-8-27(10-9-26)23(28)19-5-6-21-20(16-24(3)22(21)15-19)17-25-11-13-29-14-12-25/h5-6,15-16,18H,4,7-14,17H2,1-3H3 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co... |
Bioorg Med Chem Lett 20: 6226-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371287
(CHEMBL272699)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50217579
((5-(4-(4-fluoropiperidin-1-yl)but-1-ynyl)-2-(4-(me...)Show InChI InChI=1S/C24H29FN2OS/c1-26-18-20-17-19(5-3-4-14-27-15-12-21(25)13-16-27)6-11-24(20)28-22-7-9-23(29-2)10-8-22/h6-11,17,21,26H,4,12-16,18H2,1-2H3 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217576
(CHEMBL236046 | N-methyl(2-(4-(methylthio)phenoxy)-...)Show InChI InChI=1S/C23H28N2O2S/c1-24-18-20-17-19(5-3-4-12-25-13-15-26-16-14-25)6-11-23(20)27-21-7-9-22(28-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217577
(CHEMBL236010 | N-methyl(2-(4-(methylthio)phenoxy)-...)Show InChI InChI=1S/C23H32N2OS2/c1-24-18-20-17-19(5-3-4-12-25-13-15-28-16-14-25)6-11-23(20)26-21-7-9-22(27-2)10-8-21/h6-11,17,24H,3-5,12-16,18H2,1-2H3 | PDB
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Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217595
(CHEMBL237317 | N-methyl(2-(4-(methylthio)phenoxy)-...)Show InChI InChI=1S/C23H28N2OS2/c1-24-18-20-17-19(5-3-4-12-25-13-15-28-16-14-25)6-11-23(20)26-21-7-9-22(27-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50159110
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2 | PDB
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| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 20: 2755-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50159110
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2 | PDB
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| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells |
Bioorg Med Chem Lett 18: 5796-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.077
BindingDB Entry DOI: 10.7270/Q2154H28 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371281
(CHEMBL267267)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C24H33N3O2S/c1-18(2)26-12-5-13-27(15-14-26)24(28)19-6-11-23(20(16-19)17-25-3)29-21-7-9-22(30-4)10-8-21/h6-11,16,18,25H,5,12-15,17H2,1-4H3 | PDB
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Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
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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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)) | BDBM50371286
(CHEMBL401867)Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | PDB
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Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM254320
(US10112937, Example 220 | US10150765, Example 220 ...)Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t... |
US Patent US10112937 (2018)
BindingDB Entry DOI: 10.7270/Q25H7J9N |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM173376
(US10323032, Example 89 | US9096596, 89 | US9604982...)Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1 |r| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose... |
US Patent US9604982 (2017)
BindingDB Entry DOI: 10.7270/Q2B56MTX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371280
(CHEMBL272289)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-10-5-11-27(13-12-26)23(28)18-8-9-22(19(14-18)16-25-3)29-21-7-4-6-20(24)15-21/h4,6-9,14-15,17,25H,5,10-13,16H2,1-3H3 | PDB
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Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM173376
(US10323032, Example 89 | US9096596, 89 | US9604982...)Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1 |r| | PDB
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Universita degli Studi di Milano
| Assay Description
Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according... |
Bioorg Med Chem 17: 5834-56 (2009)
BindingDB Entry DOI: 10.7270/Q21Z46SW |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321465
((6-(3-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4...)Show SMILES Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2 | PDB
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Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371291
(CHEMBL257009)Show SMILES CNCc1cc(ccc1Oc1ccccc1C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-18(7-10-23(20)30-22-6-3-2-5-19(22)16-25)24(29)28-12-4-11-27(13-14-28)21-8-9-21/h2-3,5-7,10,15,21,26H,4,8-9,11-14,17H2,1H3 | PDB
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Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371314
(CHEMBL402949)Show SMILES CNCc1cc(ccc1Oc1ccccc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(7-10-21(18)29-22-6-3-2-5-20(22)24)23(28)27-12-4-11-26(13-14-27)19-8-9-19/h2-3,5-7,10,15,19,25H,4,8-9,11-14,16H2,1H3 | PDB
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Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371315
(CHEMBL273136)Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O3/c1-25-17-19-15-18(7-10-23(19)30-22-6-3-5-21(16-22)29-2)24(28)27-12-4-11-26(13-14-27)20-8-9-20/h3,5-7,10,15-16,20,25H,4,8-9,11-14,17H2,1-2H3 | PDB
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Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50217568
(1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(me...)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(C(C)C)C(=O)C1 Show InChI InChI=1S/C26H33N3O2S/c1-20(2)29-16-15-28(19-26(29)30)14-6-5-7-21-8-13-25(22(17-21)18-27-3)31-23-9-11-24(32-4)12-10-23/h8-13,17,20,27H,6,14-16,18-19H2,1-4H3 | PDB
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Johnson & Johnson Pharmaceutical Research & Development LLC
Curated by ChEMBL
| Assay Description
Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 4799-803 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50089374
(CHEMBL3577954)Show InChI InChI=1S/C21H33N3O/c1-18(2)23-13-15-24(16-14-23)21(25)20-9-7-19(8-10-20)17-22-11-5-3-4-6-12-22/h7-10,18H,3-6,11-17H2,1-2H3 | PDB
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Janssen Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins |
ACS Med Chem Lett 6: 450-4 (2015)
Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50089375
(CHEMBL3577953)Show InChI InChI=1S/C19H29N3O/c1-16(2)21-11-13-22(14-12-21)19(23)18-7-5-17(6-8-18)15-20-9-3-4-10-20/h5-8,16H,3-4,9-15H2,1-2H3 | PDB
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Janssen Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins |
ACS Med Chem Lett 6: 450-4 (2015)
Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50205667
(4-(2-chlorophenyl)-7-(3-(piperidin-1-yl)propoxy)-1...)Show SMILES Clc1ccccc1C1CNCc2cc(OCCCN3CCCCC3)ncc12 |w:7.7| Show InChI InChI=1S/C22H28ClN3O/c23-21-8-3-2-7-18(21)20-15-24-14-17-13-22(25-16-19(17)20)27-12-6-11-26-9-4-1-5-10-26/h2-3,7-8,13,16,20,24H,1,4-6,9-12,14-15H2 | PDB
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Johnson & Johnson Pharmaceutical Research & Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Bioorg Med Chem Lett 17: 2566-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.006
BindingDB Entry DOI: 10.7270/Q2TX3F2S |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM173376
(US10323032, Example 89 | US9096596, 89 | US9604982...)Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1 |r| | PDB
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JANSSEN PHARMACEUTICA NV
US Patent
| Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according... |
US Patent US9096596 (2015)
BindingDB Entry DOI: 10.7270/Q2SJ1JC6 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50205656
(4-phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tet...)Show SMILES C(COc1cc2CNCC(c3ccccc3)c2cn1)CN1CCCCC1 |w:9.9| Show InChI InChI=1S/C22H29N3O/c1-3-8-18(9-4-1)20-16-23-15-19-14-22(24-17-21(19)20)26-13-7-12-25-10-5-2-6-11-25/h1,3-4,8-9,14,17,20,23H,2,5-7,10-13,15-16H2 | PDB
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Johnson & Johnson Pharmaceutical Research & Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Bioorg Med Chem Lett 17: 2566-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.006
BindingDB Entry DOI: 10.7270/Q2TX3F2S |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371297
(CHEMBL404572)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-19(5-10-23(20)30-22-8-3-18(16-25)4-9-22)24(29)28-12-2-11-27(13-14-28)21-6-7-21/h3-5,8-10,15,21,26H,2,6-7,11-14,17H2,1H3 | PDB
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Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
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