Found 1654 hits Enz. Inhib. hit(s) with Target = 'Serotonin 3 (5-HT3) receptor' 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 |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50417287
(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)| Show InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | PDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Binding affinity to human wild type 5-HT3A receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis |
Bioorg Med Chem 21: 7523-8 (2013)
Article DOI: 10.1016/j.bmc.2013.09.028 BindingDB Entry DOI: 10.7270/Q2JM2C3F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50443668
(CHEBI:5537 | CHEMBL1290003 | GRANISETRON)Show SMILES CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C)c2ccccc12 Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14- | PDB
Reactome pathway KEGG
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Binding affinity to human wild type 5-HT3A receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis |
Bioorg Med Chem 21: 7523-8 (2013)
Article DOI: 10.1016/j.bmc.2013.09.028 BindingDB Entry DOI: 10.7270/Q2JM2C3F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50426730
(CHEMBL2322133)Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCNC(=O)CCn3cc(CCN)c4cc(O)ccc34)c3ccc(cc3oc2c1)=[N+](C)C |(34.43,-4.19,;33.09,-3.43,;33.08,-1.89,;31.76,-4.21,;30.41,-3.47,;29.09,-4.27,;29.11,-5.81,;27.78,-6.61,;26.43,-5.86,;26.42,-4.32,;25.07,-3.58,;23.76,-4.37,;23.78,-5.92,;25.12,-6.66,;25.15,-8.2,;23.84,-8.99,;25.91,-9.52,;22.41,-3.63,;22.38,-2.09,;21.09,-4.42,;19.74,-3.68,;18.42,-4.48,;17.07,-3.73,;15.76,-4.53,;14.41,-3.78,;13.09,-4.58,;11.74,-3.83,;11.71,-2.29,;10.42,-4.63,;9.07,-3.88,;7.75,-4.68,;6.49,-3.8,;5.27,-4.73,;3.79,-4.3,;3.43,-2.8,;1.95,-2.37,;5.79,-6.18,;5.05,-7.53,;5.85,-8.84,;5.12,-10.19,;7.39,-8.8,;8.12,-7.45,;7.32,-6.15,;27.82,-8.15,;26.49,-8.95,;26.53,-10.49,;27.89,-11.24,;29.21,-10.45,;29.18,-8.89,;30.5,-8.1,;30.47,-6.57,;31.78,-5.76,;27.93,-12.78,;26.62,-13.59,;29.29,-13.51,)| Show InChI InChI=1S/C43H48N6O6/c1-47(2)29-9-13-33-38(23-29)55-39-24-30(48(3)4)10-14-34(39)41(33)32-12-8-27(22-36(32)43(53)54)42(52)46-20-7-5-6-19-45-40(51)17-21-49-26-28(16-18-44)35-25-31(50)11-15-37(35)49/h8-15,22-26H,5-7,16-21,44H2,1-4H3,(H3-,45,46,50,51,52,53,54) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity to C-terminal-His6-tagged 5HT3A receptor (unknown origin) expressed in HEK293 cells after 2 hrs by fluorimetric analysis |
Bioorg Med Chem Lett 23: 773-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.082 BindingDB Entry DOI: 10.7270/Q2JD4Z35 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50248045
((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...)Show SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)| Show InChI InChI=1S/C16H21FN2O2/c1-11(13-4-2-3-5-14(13)17)21-16(20)18-15-10-19-8-6-12(15)7-9-19/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,15+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc
Curated by ChEMBL
| Assay Description Binding affinity to 5HT3 receptor |
J Med Chem 54: 7943-61 (2011)
Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50417287
(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)| Show InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | PDB
Reactome pathway KEGG
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| PDB Article PubMed
| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description Binding affinity to 5HT3A receptor |
Eur J Med Chem 45: 4746-60 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.039 BindingDB Entry DOI: 10.7270/Q2CV4K06 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50459886
(CHEMBL261010)Show InChI InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]granisetron from human 5-HT3A receptor expressed in HEK293 cells by scintillation counting method |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50397290
(CHEMBL475331 | VUF-10147)Show InChI InChI=1S/C13H17N5/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-5H,6-9H2,1H3,(H2,14,15,16) | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.0513 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine |
J Med Chem 55: 8603-14 (2012)
Article DOI: 10.1021/jm300801u BindingDB Entry DOI: 10.7270/Q2RF5W5T |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50334454
(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 |r| Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT3A receptor |
Bioorg Med Chem Lett 21: 58-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50334454
(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 |r| Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1 | PDB
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| US Patent
| 0.0600 | -58.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US9045501 (2015)
BindingDB Entry DOI: 10.7270/Q2MK6BN0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50214492
(CHEMBL145725 | RS-16566)Show SMILES CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@H]1CN2CCC1CC2 |wU:16.17,(10.96,-11.59,;11.99,-10.44,;13.49,-10.75,;11.5,-8.98,;12.41,-7.74,;11.49,-6.49,;10.03,-6.98,;8.69,-6.21,;7.36,-6.98,;7.36,-8.53,;6.02,-9.3,;8.69,-9.3,;10.03,-8.51,;8.68,-4.67,;7.35,-3.92,;10.02,-3.9,;10.01,-2.36,;8.68,-1.61,;8.68,-.05,;10.02,.71,;11.35,-.05,;11.35,-1.59,;10.56,-.26,;9.47,-1.35,)| Show InChI InChI=1S/C18H23ClN4O/c1-11(2)23-10-20-17-14(7-13(19)8-16(17)23)18(24)21-15-9-22-5-3-12(15)4-6-22/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,21,24)/t15-/m0/s1 | PDB
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| | 0.145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-zacopride from ondansetron-treated NG-108-15 cell membranes |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QZ2D49 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50307815
(4-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cccc(O)c12 |r| Show InChI InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)17-16-14(22(2)20-17)7-4-8-15(16)23/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Warwick
Curated by ChEMBL
| Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting |
J Med Chem 53: 2324-8 (2010)
Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50056419
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1 | PDB
Reactome pathway KEGG
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| | 0.182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H]-BRL 43694 from NG-108-15 cell membranes |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QZ2D49 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014549
(CHEMBL3261480 | US9045501, 4)Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)| Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1 | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 0.200 | -55.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US9045501 (2015)
BindingDB Entry DOI: 10.7270/Q2MK6BN0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014549
(CHEMBL3261480 | US9045501, 4)Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)| Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay |
Bioorg Med Chem Lett 24: 2578-81 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50307826
(1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]n...)Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(OCc3ccccc3)cccc12 |r| Show InChI InChI=1S/C25H30N4O2/c1-28-19-10-6-11-20(28)15-18(14-19)26-25(30)23-21-12-7-13-22(24(21)29(2)27-23)31-16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Warwick
Curated by ChEMBL
| Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting |
J Med Chem 53: 2324-8 (2010)
Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50110300
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1 Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31) | PDB
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| Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Binding affinity to 5HT3 receptor |
J Med Chem 51: 347-72 (2008)
Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50103072
(1-Benzyl-2-piperazin-1-yl-1H-benzoimidazole | CHEM...)Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2 | PDB
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| PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Louisiana at Monroe
Curated by ChEMBL
| Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor |
Bioorg Med Chem Lett 11: 2133-6 (2001)
BindingDB Entry DOI: 10.7270/Q20G3JGG |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 576-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.024 BindingDB Entry DOI: 10.7270/Q2MS3V7R |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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| Article PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 576-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.024 BindingDB Entry DOI: 10.7270/Q2MS3V7R |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50103070
(1-(4-Methoxy-benzyl)-2-piperazin-1-yl-1H-benzoimid...)Show InChI InChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3 | PDB
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| PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Louisiana at Monroe
Curated by ChEMBL
| Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor |
Bioorg Med Chem Lett 11: 2133-6 (2001)
BindingDB Entry DOI: 10.7270/Q20G3JGG |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014156
(4-(2-Methoxy-phenyl)-2-(5-methyl-1H-imidazol-4-ylm...)Show InChI InChI=1S/C15H15N3OS/c1-10-12(17-9-16-10)7-15-18-13(8-20-15)11-5-3-4-6-14(11)19-2/h3-6,8-9H,7H2,1-2H3,(H,16,17) | PDB
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Similars
| PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer central Research
Curated by ChEMBL
| Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells |
J Med Chem 33: 2715-20 (1990)
BindingDB Entry DOI: 10.7270/Q2H995S5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50053631
(2-(4-Methyl-piperazin-1-yl)-quinoline | 2-(4-methy...)Show InChI InChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3 | PDB
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| Article PubMed
| 0.457 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine |
J Med Chem 55: 8603-14 (2012)
Article DOI: 10.1021/jm300801u BindingDB Entry DOI: 10.7270/Q2RF5W5T |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM93624
(5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...)Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT3A receptor |
Bioorg Med Chem Lett 21: 58-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM93624
(5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...)Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19) | PDB
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| PDB Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014558
(ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...)Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19) | PDB
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| DrugBank Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay |
Bioorg Med Chem Lett 24: 2578-81 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014552
(CHEMBL3261483 | US9045501, 8)Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)| Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1 | PDB
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| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay |
Bioorg Med Chem Lett 24: 2578-81 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014558
(ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...)Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19) | PDB
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| DrugBank US Patent
| 0.5 | -53.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US9045501 (2015)
BindingDB Entry DOI: 10.7270/Q2MK6BN0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014552
(CHEMBL3261483 | US9045501, 8)Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)| Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1 | PDB
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| US Patent
| 0.5 | -53.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US9045501 (2015)
BindingDB Entry DOI: 10.7270/Q2MK6BN0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50214492
(CHEMBL145725 | RS-16566)Show SMILES CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@H]1CN2CCC1CC2 |wU:16.17,(10.96,-11.59,;11.99,-10.44,;13.49,-10.75,;11.5,-8.98,;12.41,-7.74,;11.49,-6.49,;10.03,-6.98,;8.69,-6.21,;7.36,-6.98,;7.36,-8.53,;6.02,-9.3,;8.69,-9.3,;10.03,-8.51,;8.68,-4.67,;7.35,-3.92,;10.02,-3.9,;10.01,-2.36,;8.68,-1.61,;8.68,-.05,;10.02,.71,;11.35,-.05,;11.35,-1.59,;10.56,-.26,;9.47,-1.35,)| Show InChI InChI=1S/C18H23ClN4O/c1-11(2)23-10-20-17-14(7-13(19)8-16(17)23)18(24)21-15-9-22-5-3-12(15)4-6-22/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,21,24)/t15-/m0/s1 | PDB
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| | 0.537 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H]-BRL 43694 from NG-108-15 cell membranes |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QZ2D49 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329746
(CHEMBL1271731 | endo-2-((3S,5S)-3,5-dimethylmorpho...)Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C23H32N4O3/c1-14-12-29-13-15(2)27(14)23-25-21-19(8-5-9-20(21)30-23)22(28)24-16-10-17-6-4-7-18(11-16)26(17)3/h5,8-9,14-18H,4,6-7,10-13H2,1-3H3,(H,24,28)/t14-,15-,17+,18+/m0/s1 | PDB
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| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50307824
(7-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(O)cccc12 |r| Show InChI InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1 | PDB
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| Article PubMed
| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Warwick
Curated by ChEMBL
| Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting |
J Med Chem 53: 2324-8 (2010)
Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells |
J Med Chem 33: 2721-5 (1990)
BindingDB Entry DOI: 10.7270/Q2CJ8F2V |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50334442
((S)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)Show SMILES Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:6.5,(21.53,-4.9,;20.98,-3.46,;22.01,-1.72,;20.85,-.68,;20.86,.86,;19.52,1.63,;19.51,3.17,;18.18,3.93,;18.18,5.47,;19.52,6.24,;20.85,5.47,;20.85,3.94,;19.34,4.44,;19.66,5.08,;18.19,.86,;16.85,1.65,;18.19,-.68,;16.86,-1.45,;16.85,-2.99,;18.19,-3.76,;19.52,-2.99,;19.52,-1.45,)| Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT3A receptor |
Bioorg Med Chem Lett 21: 58-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50334453
((S)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrro...)Show SMILES Cn1cc2CN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:6.5,(4.39,-34,;3.85,-32.56,;4.88,-30.82,;3.72,-29.78,;3.73,-28.24,;2.39,-27.47,;2.38,-25.93,;1.05,-25.17,;1.05,-23.63,;2.39,-22.86,;3.72,-23.63,;3.72,-25.16,;2.21,-24.66,;2.53,-24.02,;1.06,-28.24,;-.28,-27.45,;1.06,-29.78,;-.27,-30.55,;-.28,-32.09,;1.06,-32.86,;2.39,-32.09,;2.39,-30.55,)| Show InChI InChI=1S/C18H21N3O/c1-19-9-13-10-21(16-11-20-7-5-12(16)6-8-20)18(22)14-3-2-4-15(19)17(13)14/h2-4,9,12,16H,5-8,10-11H2,1H3/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT3A receptor |
Bioorg Med Chem Lett 21: 58-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014553
(CHEMBL3261484)Show SMILES Cc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(32.02,-14.44,;33.35,-13.67,;33.36,-12.13,;34.68,-11.36,;34.44,-9.83,;32.97,-9.38,;35.5,-8.68,;37.04,-8.8,;37.91,-10.07,;37.47,-11.55,;38.4,-12.89,;37.49,-14.15,;36.02,-13.67,;34.69,-14.44,;36.02,-12.12,;34.94,-7.25,;33.41,-7.03,;32.85,-5.59,;33.81,-4.38,;35.33,-4.62,;35.89,-6.05,;34.94,-5.01,;34.17,-6.35,)| Show InChI InChI=1S/C18H22N4O/c1-12-8-14-10-19-22-7-6-21(18(23)15(9-12)17(14)22)16-11-20-4-2-13(16)3-5-20/h8-10,13,16H,2-7,11H2,1H3/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay |
Bioorg Med Chem Lett 24: 2578-81 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM160716
(US9045501, 11)Show SMILES Cc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.26,-5.15,;-1.99,-4.28,;-2.05,-2.71,;-.78,-1.84,;-1.12,-.34,;-2.46,.43,;-.16,.87,;1.38,.87,;2.34,-.34,;1.99,-1.84,;3.03,-3.1,;2.22,-4.41,;.72,-4.04,;-.55,-4.91,;.61,-2.51,;-.56,2.35,;-2.05,2.75,;-2.45,4.24,;-1.36,5.33,;.13,4.93,;.53,3.44,;-.96,3.1,;-.96,4.64,)| Show InChI InChI=1S/C18H22N4O/c1-12-8-14-10-19-22-7-6-21(18(23)15(9-12)17(14)22)16-11-20-4-2-13(16)3-5-20/h8-10,13,16H,2-7,11H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.800 | -51.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US9045501 (2015)
BindingDB Entry DOI: 10.7270/Q2MK6BN0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50363283
(CHEMBL1945711)Show SMILES COc1ccc(cc1)C1=[N+]2C(C=C1)=Cc1c(C)c(CCC(=O)NCCCCCC(=O)NCCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(C)n1[B-]2(F)F |r,c:12,14,t:9,TLB:49:48:43.44.45:47.40.41| Show InChI InChI=1S/C47H59BF2N8O4/c1-31-39(32(2)57-43(31)30-37-19-23-41(58(37)48(57,49)50)33-17-20-38(62-4)21-18-33)22-24-45(60)51-25-9-5-6-16-44(59)52-26-11-27-56-42-15-8-7-14-40(42)46(54-56)47(61)53-34-28-35-12-10-13-36(29-34)55(35)3/h7-8,14-15,17-21,23,30,34-36H,5-6,9-13,16,22,24-29H2,1-4H3,(H,51,60)(H,52,59)(H,53,61)/t35-,36-/m0/s1 | 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 |
University of Bern
Curated by ChEMBL
| Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 1151-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50334452
((R)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrro...)Show SMILES Cn1cc2CN([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wU:6.5,(-3.65,-33.57,;-4.2,-32.13,;-3.17,-30.38,;-4.32,-29.35,;-4.32,-27.8,;-5.66,-27.04,;-5.66,-25.5,;-7,-24.74,;-6.99,-23.19,;-5.66,-22.42,;-4.33,-23.2,;-4.33,-24.73,;-5.83,-24.22,;-5.51,-23.59,;-6.98,-27.8,;-8.33,-27.02,;-6.99,-29.35,;-8.32,-30.12,;-8.32,-31.66,;-6.98,-32.43,;-5.66,-31.66,;-5.65,-30.12,)| Show InChI InChI=1S/C18H21N3O/c1-19-9-13-10-21(16-11-20-7-5-12(16)6-8-20)18(22)14-3-2-4-15(19)17(13)14/h2-4,9,12,16H,5-8,10-11H2,1H3/t16-/m0/s1 | 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 |
AMRI
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT3A receptor |
Bioorg Med Chem Lett 21: 58-61 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50579346
(CHEMBL4867565)Show SMILES Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 5HT3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00224 BindingDB Entry DOI: 10.7270/Q2X3528B |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50161758
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2 |wD:13.14,(6.37,-10.17,;7.7,-9.41,;9.02,-10.21,;10.37,-9.5,;11.82,-10.05,;12.78,-8.84,;11.91,-7.55,;10.43,-7.97,;9.14,-7.15,;7.77,-7.86,;9.21,-5.61,;7.89,-4.79,;10.56,-4.88,;10.62,-3.34,;12,-2.64,;12.07,-1.08,;10.76,-.26,;9.37,-.98,;9.31,-2.54,;10.14,-1.35,;10.78,-1.99,)| Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc
Curated by ChEMBL
| Assay Description Binding affinity to 5HT3 receptor |
J Med Chem 54: 7943-61 (2011)
Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50214494
(CHEMBL142852 | RS-33800)Show SMILES CC(C)n1cnc2c(cc(Cl)cc12)C(=O)NC1CC2CCC(C1)N2C |TLB:15:16:23:19.20| Show InChI InChI=1S/C19H25ClN4O/c1-11(2)24-10-21-18-16(6-12(20)7-17(18)24)19(25)22-13-8-14-4-5-15(9-13)23(14)3/h6-7,10-11,13-15H,4-5,8-9H2,1-3H3,(H,22,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H]-BRL 43694 from NG-108-15 cell membranes |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QZ2D49 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50007872
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity to 5HT3 receptor (unknown origin) |
Bioorg Med Chem 17: 1222-31 (2009)
Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM99935
(US8501729, 31)Show SMILES Cn1cc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:7.6,(2.58,-5.62,;1.81,-4.28,;2.71,-3.04,;1.81,-1.79,;2.23,-.23,;1.36,1.04,;-.18,1.15,;-.57,2.64,;-2.06,3.04,;-2.46,4.53,;-1.37,5.62,;.12,5.22,;.52,3.73,;-.97,3.39,;-.97,4.93,;-1.22,.03,;-2.71,.42,;-.99,-1.5,;-2.33,-2.27,;-2.33,-3.81,;-.99,-4.58,;.34,-3.81,;.34,-2.27,)| Show InChI InChI=1S/C19H23N3O/c1-20-11-14-7-10-22(17-12-21-8-5-13(17)6-9-21)19(23)15-3-2-4-16(20)18(14)15/h2-4,11,13,17H,5-10,12H2,1H3/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US8501729 (2013)
BindingDB Entry DOI: 10.7270/Q2JW8CHV |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329748
(CHEMBL1271791 | endo-2-((3S,5S)-3-ethyl-5-methylmo...)Show SMILES CC[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22| Show InChI InChI=1S/C24H34N4O3/c1-4-17-14-30-13-15(2)28(17)24-26-22-20(9-6-10-21(22)31-24)23(29)25-16-11-18-7-5-8-19(12-16)27(18)3/h6,9-10,15-19H,4-5,7-8,11-14H2,1-3H3,(H,25,29)/t15-,17-,18+,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM99930
(US8501729, 25)Show SMILES CCn1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:8.7,(3.2,-5.89,;1.71,-5.49,;1.31,-4.01,;2.22,-2.76,;1.31,-1.52,;1.74,.04,;.87,1.32,;-.67,1.43,;-1.06,2.92,;-2.55,3.32,;-2.95,4.8,;-1.86,5.89,;-.37,5.49,;.02,4.01,;-1.46,3.66,;-1.46,5.2,;-1.71,.3,;-3.2,.7,;-1.48,-1.22,;-2.82,-1.99,;-2.82,-3.53,;-1.48,-4.3,;-.15,-3.53,;-.15,-1.99,)| Show InChI InChI=1S/C19H24N4O/c1-2-23-16-5-3-4-14-18(16)15(20-23)8-11-22(19(14)24)17-12-21-9-6-13(17)7-10-21/h3-5,13,17H,2,6-12H2,1H3/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US8501729 (2013)
BindingDB Entry DOI: 10.7270/Q2JW8CHV |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014164
(8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...)Show InChI InChI=1S/C17H14N4S/c1-11-14(20-10-19-11)8-16-21-15(9-22-16)13-6-2-4-12-5-3-7-18-17(12)13/h2-7,9-10H,8H2,1H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer central Research
Curated by ChEMBL
| Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells |
J Med Chem 33: 2715-20 (1990)
BindingDB Entry DOI: 10.7270/Q2H995S5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM99936
(US8501729, 32)Show SMILES O=C1N(CCc2cn(Cc3ccccc3)c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:21.24,(-4.69,1.64,;-3.2,1.24,;-2.15,2.37,;-.62,2.26,;.25,.99,;-.17,-.57,;.73,-1.82,;-.17,-3.06,;.23,-4.55,;1.71,-4.95,;2.11,-6.44,;3.6,-6.84,;4.69,-5.75,;4.29,-4.26,;2.8,-3.86,;-1.64,-2.59,;-2.97,-3.36,;-4.3,-2.59,;-4.3,-1.05,;-2.97,-.28,;-1.64,-1.05,;-2.55,3.86,;-4.04,4.26,;-4.44,5.75,;-3.35,6.84,;-1.86,6.44,;-1.46,4.95,;-2.95,4.61,;-2.95,6.15,)| Show InChI InChI=1S/C25H27N3O/c29-25-21-7-4-8-22-24(21)20(16-27(22)15-18-5-2-1-3-6-18)11-14-28(25)23-17-26-12-9-19(23)10-13-26/h1-8,16,19,23H,9-15,17H2/t23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US8501729 (2013)
BindingDB Entry DOI: 10.7270/Q2JW8CHV |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50334453
((S)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrro...)Show SMILES Cn1cc2CN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:6.5,(4.39,-34,;3.85,-32.56,;4.88,-30.82,;3.72,-29.78,;3.73,-28.24,;2.39,-27.47,;2.38,-25.93,;1.05,-25.17,;1.05,-23.63,;2.39,-22.86,;3.72,-23.63,;3.72,-25.16,;2.21,-24.66,;2.53,-24.02,;1.06,-28.24,;-.28,-27.45,;1.06,-29.78,;-.27,-30.55,;-.28,-32.09,;1.06,-32.86,;2.39,-32.09,;2.39,-30.55,)| Show InChI InChI=1S/C18H21N3O/c1-19-9-13-10-21(16-11-20-7-5-12(16)6-8-20)18(22)14-3-2-4-15(19)17(13)14/h2-4,9,12,16H,5-8,10-11H2,1H3/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US8501729 (2013)
BindingDB Entry DOI: 10.7270/Q2JW8CHV |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50334442
((S)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)Show SMILES Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:6.5,(21.53,-4.9,;20.98,-3.46,;22.01,-1.72,;20.85,-.68,;20.86,.86,;19.52,1.63,;19.51,3.17,;18.18,3.93,;18.18,5.47,;19.52,6.24,;20.85,5.47,;20.85,3.94,;19.34,4.44,;19.66,5.08,;18.19,.86,;16.85,1.65,;18.19,-.68,;16.86,-1.45,;16.85,-2.99,;18.19,-3.76,;19.52,-2.99,;19.52,-1.45,)| Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US8501729 (2013)
BindingDB Entry DOI: 10.7270/Q2JW8CHV |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50334445
((S)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...)Show SMILES CCn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:7.6,(47.4,-4.88,;48.37,-3.68,;47.82,-2.25,;48.85,-.5,;47.7,.54,;47.7,2.08,;46.36,2.85,;46.36,4.39,;45.02,5.15,;45.03,6.69,;46.36,7.46,;47.69,6.69,;47.69,5.16,;46.19,5.66,;46.5,6.3,;45.04,2.08,;43.69,2.87,;45.03,.54,;43.7,-.23,;43.7,-1.78,;45.04,-2.55,;46.36,-1.78,;46.36,-.23,)| Show InChI InChI=1S/C18H22N4O/c1-2-22-15-5-3-4-13-17(15)14(19-22)10-21(18(13)23)16-11-20-8-6-12(16)7-9-20/h3-5,10,12,16,19H,2,6-9,11H2,1H3/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Albany Molecular Research, Inc.
US Patent
| Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim... |
US Patent US8501729 (2013)
BindingDB Entry DOI: 10.7270/Q2JW8CHV |
More data for this Ligand-Target Pair | |