Found 1077 hits of ki data for polymerid = 49000071,49000072,49000076,49000077,5137 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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
UniProtKB/SwissProt
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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
(RAT) | BDBM50288283
(4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...)Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.14,(11.77,-27.01,;11.77,-25.48,;10.45,-24.71,;9.1,-25.48,;9.1,-27.01,;7.78,-24.71,;6.45,-25.48,;7.78,-23.17,;6.45,-22.4,;9.1,-22.4,;10.45,-23.17,;11.77,-22.4,;11.77,-20.86,;13.1,-23.17,;14.43,-22.4,;15.77,-23.18,;17.09,-22.42,;17.11,-20.88,;15.77,-20.1,;14.43,-20.86,;15.24,-22.25,;16.38,-21.1,)| Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1 | PDB
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| Article
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor |
Bioorg Med Chem Lett 6: 2657-2662 (1996)
Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP |
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
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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
(RAT) | BDBM50288283
(4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...)Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.14,(11.77,-27.01,;11.77,-25.48,;10.45,-24.71,;9.1,-25.48,;9.1,-27.01,;7.78,-24.71,;6.45,-25.48,;7.78,-23.17,;6.45,-22.4,;9.1,-22.4,;10.45,-23.17,;11.77,-22.4,;11.77,-20.86,;13.1,-23.17,;14.43,-22.4,;15.77,-23.18,;17.09,-22.42,;17.11,-20.88,;15.77,-20.1,;14.43,-20.86,;15.24,-22.25,;16.38,-21.1,)| Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1 | PDB
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| CHEMBL PC cid PC sid UniChem
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| Article
| 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat CNS. |
Bioorg Med Chem Lett 6: 2657-2662 (1996)
Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP |
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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| 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 | -13.9 | 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
(RAT) | BDBM50288283
(4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...)Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.14,(11.77,-27.01,;11.77,-25.48,;10.45,-24.71,;9.1,-25.48,;9.1,-27.01,;7.78,-24.71,;6.45,-25.48,;7.78,-23.17,;6.45,-22.4,;9.1,-22.4,;10.45,-23.17,;11.77,-22.4,;11.77,-20.86,;13.1,-23.17,;14.43,-22.4,;15.77,-23.18,;17.09,-22.42,;17.11,-20.88,;15.77,-20.1,;14.43,-20.86,;15.24,-22.25,;16.38,-21.1,)| Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1 | PDB
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| CHEMBL PC cid PC sid UniChem
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| Article
| 0.0750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using [125I]-DAIZAC as the radioligand. |
Bioorg Med Chem Lett 6: 2657-2662 (1996)
Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP |
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
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| 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
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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
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| CHEMBL PC cid PC sid UniChem
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| 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)) | 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
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| US Patent
| 0.200 | -13.2 | 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)) | 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
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| CHEMBL PC cid PC sid UniChem
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| 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
(RAT) | 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
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| Article
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor |
Bioorg Med Chem Lett 2: 1613-1618 (1992)
Article DOI: 10.1016/S0960-894X(00)80441-2 BindingDB Entry DOI: 10.7270/Q2J67HFB |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(RAT) | 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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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 267: 961-70 (1993)
BindingDB Entry DOI: 10.7270/Q2125R5V |
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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| 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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| 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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| 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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| 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
(RAT) | BDBM50060685
(9-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)Show InChI InChI=1S/C16H17FN4/c1-19-8-10-20(11-9-19)16-14-6-3-7-21(14)15-12(17)4-2-5-13(15)18-16/h2-7H,8-11H2,1H3 | PDB
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| Article PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate |
J Med Chem 52: 6946-50 (2009)
Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M |
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
(RAT) | BDBM50299661
(9-methyl-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...)Show SMILES Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12 Show InChI InChI=1S/C20H22N6/c1-15-4-2-5-17-19(15)26-7-3-6-18(26)20(23-17)25-10-8-24(9-11-25)13-16-12-21-14-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,21,22) | PDB
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate |
J Med Chem 52: 6946-50 (2009)
Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M |
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 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)) | 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 | -12.7 | 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)) | 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 | -12.7 | 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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| 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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| 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)) | 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)) | 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
(GUINEA PIG) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 267: 961-70 (1993)
BindingDB Entry DOI: 10.7270/Q2125R5V |
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
Reactome pathway KEGG
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CHEMBL PC cid PC sid UniChem
Similars
| 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
(RAT) | BDBM50299660
(7-fluoro-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...)Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21 Show InChI InChI=1S/C19H19FN6/c20-14-3-4-17-16(10-14)23-19(18-2-1-5-26(17)18)25-8-6-24(7-9-25)12-15-11-21-13-22-15/h1-5,10-11,13H,6-9,12H2,(H,21,22) | PDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate |
J Med Chem 52: 6946-50 (2009)
Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M |
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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Similars
| 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)) | 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
(RAT) | BDBM50081973
(4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxal...)Show InChI InChI=1S/C16H18N4O/c1-18-7-9-19(10-8-18)16-15-3-2-6-20(15)14-5-4-12(21)11-13(14)17-16/h2-6,11,21H,7-10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]zacopride from 5HT3 receptor in rat cortex |
J Med Chem 52: 3548-62 (2009)
Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7 |
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
(GUINEA PIG) | 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
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 267: 961-70 (1993)
BindingDB Entry DOI: 10.7270/Q2125R5V |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(GUINEA PIG) | BDBM50056404
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18| Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 267: 961-70 (1993)
BindingDB Entry DOI: 10.7270/Q2125R5V |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(RAT) | BDBM50081969
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate |
J Med Chem 52: 6946-50 (2009)
Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M |
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
(RAT) | BDBM50241143
((MDL 72222)3,5-Dichloro-benzoic acid 8-methyl-8-az...)Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc(Cl)c1 |THB:9:7:1:3.4| Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3 | PDB
KEGG
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CHEMBL KEGG 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 |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557 BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(RAT) | BDBM50060688
(7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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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 |
European Research Centre for Drug Discovery and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate |
J Med Chem 52: 3548-62 (2009)
Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(RAT) | BDBM50081969
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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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 |
European Research Centre for Drug Discovery and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]zacopride from 5HT3 receptor in rat cortex |
J Med Chem 52: 3548-62 (2009)
Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(RAT) | BDBM50258431
(CHEMBL523716 | [4-(7-Fluoropyrrolo[1,2-a]quinoxali...)Show InChI InChI=1S/C17H19FN6O/c18-12-3-4-14-13(10-12)20-17(15-2-1-5-24(14)15)23-8-6-22(7-9-23)11-16(19)21-25/h1-5,10,25H,6-9,11H2,(H2,19,21) | PDB
KEGG
UniProtKB/SwissProt
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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 |
European Research Centre for Drug Discovery and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate |
J Med Chem 52: 3548-62 (2009)
Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7 |
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
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| PC cid PC sid UniChem
Similars
| US Patent
| 0.800 | -12.4 | 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
(RAT) | BDBM50060688
(7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate |
J Med Chem 52: 6946-50 (2009)
Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M |
More data for this Ligand-Target Pair | |