Found 1317 hits with Last Name = 'bonaventure' and Initial = 'p' 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 |
|---|
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50346209
(5-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25) | PDB
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PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4413-25 (2009)
Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
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| Article
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to orexin receptor 1 (unknown origin) |
Bioorg Med Chem Lett 23: 4761-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM104692
(US8569311, E-5)Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 |r| Show InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1 | PDB
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| Article
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to orexin receptor 2 (unknown origin) |
Bioorg Med Chem Lett 23: 4761-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ |
More data for this
Ligand-Target Pair | |
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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| 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)) | 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 | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50371662
(CHEMBL269974)Show InChI InChI=1S/C22H23N3/c1-16-7-9-18(10-8-16)22-19-11-13-23-14-12-20(19)24-21(25-22)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3 | PDB
MMDB
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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 and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells |
Bioorg Med Chem Lett 18: 2103-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to orexin receptor 2 (unknown origin) |
Bioorg Med Chem Lett 23: 4761-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50318701
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to orexin receptor 2 (unknown origin) |
Bioorg Med Chem Lett 23: 4761-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50139391
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1 | PDB
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PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4413-25 (2009)
Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C |
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)) | 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 | |
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 | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50438824
(CHEMBL2413365)Show SMILES C[C@H]1[C@H](COc2nccc3ccccc23)CCCN1C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C26H27N5O2/c1-18-9-10-24(31-28-13-14-29-31)23(16-18)26(32)30-15-5-7-21(19(30)2)17-33-25-22-8-4-3-6-20(22)11-12-27-25/h3-4,6,8-14,16,19,21H,5,7,15,17H2,1-2H3/t19-,21-/m0/s1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to orexin receptor 1 (unknown origin) |
Bioorg Med Chem Lett 23: 4761-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ |
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)) | BDBM50200636
(1-(4-(4-(piperidin-1-ylmethyl)phenyl)but-3-ynyl)pi...)Show InChI InChI=1S/C21H30N2/c1-4-14-22(15-5-1)16-8-3-9-20-10-12-21(13-11-20)19-23-17-6-2-7-18-23/h10-13H,1-2,4-8,14-19H2 | PDB
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| 0.513 | 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 [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4098-106 (2009)
Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50414797
(CHEMBL582977)Show InChI InChI=1S/C22H31N3O/c23-22(26)21-10-15-25(16-11-21)18-20-9-6-8-19(17-20)7-2-5-14-24-12-3-1-4-13-24/h6,8-9,17,21H,1,3-5,10-16,18H2,(H2,23,26) | PDB
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| 0.550 | 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 [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4098-106 (2009)
Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G |
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 | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50318701
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1 | PDB
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PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to orexin receptor 1 (unknown origin) |
Bioorg Med Chem Lett 23: 4761-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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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PubMed
| 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 | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50371682
(CHEMBL270188)Show InChI InChI=1S/C21H20FN3/c22-17-8-6-16(7-9-17)21-18-10-12-23-13-11-19(18)24-20(25-21)14-15-4-2-1-3-5-15/h1-9,23H,10-14H2 | PDB
MMDB
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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 and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells |
Bioorg Med Chem Lett 18: 2103-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5 |
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 and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4413-25 (2009)
Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50414804
(CHEMBL574712)Show InChI InChI=1S/C20H28N2/c1-3-13-21(14-4-1)15-5-2-8-19-9-11-20(12-10-19)18-22-16-6-7-17-22/h9-12H,1,3-7,13-18H2 | PDB
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| 0.617 | 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 [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4098-106 (2009)
Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50414811
(CHEMBL574721)Show InChI InChI=1S/C20H28N2/c1-3-16-22(17-4-1)18-20-11-9-19(10-12-20)8-2-5-13-21-14-6-7-15-21/h9-12H,1,3-7,13-18H2 | PDB
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| 0.676 | 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 [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4098-106 (2009)
Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G |
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)) | BDBM50346205
(5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy...)Show InChI InChI=1S/C19H31N3O/c1-3-10-21(11-4-1)14-7-15-23-19-9-8-18(16-20-19)17-22-12-5-2-6-13-22/h8-9,16H,1-7,10-15,17H2 | 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 and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4413-25 (2009)
Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C |
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)) | 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 | |
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 | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50438798
(CHEMBL2413516)Show SMILES COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(CC4)c4nc(C)cc(C)n4)C3=O)c2c1 Show InChI InChI=1S/C26H31N5O3/c1-17-13-18(2)29-25(28-17)30-11-8-26(9-12-30)7-4-10-31(24(26)33)16-20-15-27-22-6-5-19(14-21(20)22)23(32)34-3/h5-6,13-15,27H,4,7-12,16H2,1-3H3 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human orexin receptor 2 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 23: 4761-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ |
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)) | 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 | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50371669
(CHEMBL402164)Show InChI InChI=1S/C21H19F2N3/c22-16-5-1-14(2-6-16)13-20-25-19-10-12-24-11-9-18(19)21(26-20)15-3-7-17(23)8-4-15/h1-8,24H,9-13H2 | 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 and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells |
Bioorg Med Chem Lett 18: 2103-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50414798
(CHEMBL575172)Show InChI InChI=1S/C21H31N3/c1-22-14-16-24(17-15-22)19-21-10-7-9-20(18-21)8-3-6-13-23-11-4-2-5-12-23/h7,9-10,18H,2,4-6,11-17,19H2,1H3 | PDB
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| 0.724 | 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 [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4098-106 (2009)
Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50414800
(CHEMBL583182)Show InChI InChI=1S/C22H31N3O/c23-22(26)21-11-16-25(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-24-13-3-1-4-14-24/h7-10,21H,1,3-5,11-18H2,(H2,23,26) | PDB
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| 0.759 | 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 [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4098-106 (2009)
Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50414792
(CHEMBL573817)Show InChI InChI=1S/C21H30N2/c1-4-13-22(14-5-1)15-8-3-10-20-11-9-12-21(18-20)19-23-16-6-2-7-17-23/h9,11-12,18H,1-2,4-8,13-17,19H2 | PDB
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| 0.776 | 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 [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4098-106 (2009)
Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50346208
((1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethy...)Show InChI InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3 | 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 and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4413-25 (2009)
Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C |
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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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50371681
(CHEMBL271418)Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12 Show InChI InChI=1S/C22H20F3N3/c23-22(24,25)17-8-6-16(7-9-17)21-18-10-12-26-13-11-19(18)27-20(28-21)14-15-4-2-1-3-5-15/h1-9,26H,10-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells |
Bioorg Med Chem Lett 18: 2103-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5 |
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
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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)) | 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
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 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)) | BDBM22904
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1 | PDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4413-25 (2009)
Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C |
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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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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)) | BDBM50414813
(CHEMBL573328)Show InChI InChI=1S/C23H35N3/c1-21(2)26-18-16-25(17-19-26)20-23-11-9-22(10-12-23)8-4-7-15-24-13-5-3-6-14-24/h9-12,21H,3,5-7,13-20H2,1-2H3 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.871 | 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 [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4098-106 (2009)
Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50414799
(CHEMBL573815)Show InChI InChI=1S/C21H30N2O/c24-21-11-16-23(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-22-13-3-1-4-14-22/h7-10,21,24H,1,3-5,11-18H2 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.891 | 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 [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4098-106 (2009)
Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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 | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50346207
(2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-...)Show InChI InChI=1S/C19H31N3O/c1-3-10-21(11-4-1)14-7-15-23-19-9-8-18(20-16-19)17-22-12-5-2-6-13-22/h8-9,16H,1-7,10-15,17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells |
Eur J Med Chem 44: 4413-25 (2009)
Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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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