Found 184 hits with Last Name = 'masih' and Initial = 'l' 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)) | 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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| 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)) | 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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| 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)) | 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)) | 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)) | 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)) | 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)) | 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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| 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)) | 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
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| 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
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| 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
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| 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)) | 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
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| 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)) | 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
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| 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)) | 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
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| 1.60 | 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)) | BDBM50334439
((R)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:6.5,(12.29,-5.2,;11.75,-3.77,;12.77,-2.02,;11.62,-.98,;11.62,.56,;10.28,1.33,;10.28,2.87,;8.95,3.63,;8.95,5.17,;10.28,5.94,;11.61,5.17,;11.61,3.64,;10.11,4.14,;10.43,4.78,;8.96,.56,;7.61,1.35,;8.96,-.99,;7.62,-1.76,;7.62,-3.3,;8.96,-4.07,;10.29,-3.3,;10.29,-1.75,)| 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-/m0/s1 | PDB
Reactome pathway
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| 1.70 | 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)) | BDBM50329745
(CHEMBL1271730 | endo-2-((S)-3-tert-butylmorpholino...)Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOC[C@@H]1C(C)(C)C |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C25H36N4O3/c1-25(2,3)21-15-31-12-11-29(21)24-27-22-19(9-6-10-20(22)32-24)23(30)26-16-13-17-7-5-8-18(14-16)28(17)4/h6,9-10,16-18,21H,5,7-8,11-15H2,1-4H3,(H,26,30)/t17-,18-,21-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 2 | 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)) | BDBM50334443
((R)-4-fluoro-2-methyl-7-(quinuclidin-3-yl)-7,8-dih...)Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cc(F)cc1c23 |r,wU:6.5,(31.37,-5.57,;30.82,-4.13,;31.85,-2.38,;30.7,-1.35,;30.7,.2,;29.36,.96,;29.36,2.5,;28.02,3.26,;28.03,4.81,;29.36,5.58,;30.69,4.8,;30.69,3.27,;29.19,3.77,;29.51,4.41,;28.04,.2,;26.69,.98,;28.03,-1.35,;26.7,-2.12,;26.7,-3.66,;25.37,-4.43,;28.04,-4.43,;29.36,-3.66,;29.37,-2.12,)| Show InChI InChI=1S/C17H19FN4O/c1-20-14-7-11(18)6-12-16(14)13(19-20)8-22(17(12)23)15-9-21-4-2-10(15)3-5-21/h6-8,10,15,19H,2-5,9H2,1H3/t15-/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| 2 | 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)) | BDBM50334444
((R)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...)Show SMILES CCn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:7.6,(39.2,-5.65,;40.17,-4.46,;39.63,-3.02,;40.65,-1.27,;39.5,-.24,;39.5,1.31,;38.16,2.07,;38.16,3.61,;36.83,4.37,;36.83,5.92,;38.16,6.69,;39.49,5.91,;39.49,4.38,;37.99,4.89,;38.31,5.52,;36.84,1.31,;35.49,2.09,;36.84,-.24,;35.5,-1.01,;35.5,-2.55,;36.84,-3.32,;38.16,-2.55,;38.17,-1.01,)| 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-/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| 2 | 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)) | BDBM50334447
((S)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...)Show SMILES CC(C)n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:8.7,(5.55,-19.44,;6.52,-18.25,;8.03,-18.49,;5.97,-16.81,;7,-15.06,;5.85,-14.02,;5.85,-12.48,;4.51,-11.71,;4.5,-10.18,;3.17,-9.41,;3.17,-7.87,;4.51,-7.1,;5.84,-7.87,;5.84,-9.4,;4.33,-8.9,;4.65,-8.27,;3.18,-12.48,;1.84,-11.7,;3.18,-14.03,;1.85,-14.8,;1.84,-16.34,;3.18,-17.11,;4.51,-16.34,;4.51,-14.8,)| Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 2.30 | 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)) | BDBM50329724
(CHEMBL1271960 | endo-2-((2S,6S)-2,6-dimethylpipera...)Show SMILES C[C@H]1CNC[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/C23H33N5O2/c1-14-12-24-13-15(2)28(14)23-26-21-19(8-5-9-20(21)30-23)22(29)25-16-10-17-6-4-7-18(11-16)27(17)3/h5,8-9,14-18,24H,4,6-7,10-13H2,1-3H3,(H,25,29)/t14-,15-,17+,18+/m0/s1 | PDB
Reactome pathway
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PubMed
| 2.40 | 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)) | BDBM50334448
((S)-2-isobutyl-7-(quinuclidin-3-yl)-7,8-dihydropyr...)Show SMILES CC(C)Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:9.8,(15.89,-21.07,;15.34,-19.64,;13.82,-19.39,;16.31,-18.44,;15.77,-17.01,;16.79,-15.26,;15.64,-14.22,;15.64,-12.68,;14.3,-11.91,;14.3,-10.37,;12.97,-9.61,;12.97,-8.07,;14.3,-7.3,;15.63,-8.07,;15.63,-9.6,;14.13,-9.1,;14.45,-8.46,;12.98,-12.68,;11.63,-11.89,;12.98,-14.22,;11.64,-14.99,;11.64,-16.54,;12.98,-17.31,;14.31,-16.54,;14.31,-14.99,)| Show InChI InChI=1S/C20H26N4O/c1-13(2)10-24-17-5-3-4-15-19(17)16(21-24)11-23(20(15)25)18-12-22-8-6-14(18)7-9-22/h3-5,11,13-14,18,21H,6-10,12H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
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| 2.40 | 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)) | BDBM50014548
(CHEMBL3261479 | US9045501, 2)Show SMILES O=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)| Show InChI InChI=1S/C18H21N3O/c22-18-15-3-1-2-14-6-9-20(17(14)15)10-11-21(18)16-12-19-7-4-13(16)5-8-19/h1-3,6,9,13,16H,4-5,7-8,10-12H2/t16-/m1/s1 | PDB
Reactome pathway
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| 3.10 | 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)) | BDBM85330
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3 | PDB
Reactome pathway
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MCE
KEGG
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PC sid
PDB
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| DrugBank
PDB
Article
PubMed
| 3.40 | 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)) | BDBM50329744
(CHEMBL1271678 | endo-2-((S)-3-isobutylmorpholino)-...)Show SMILES CC(C)C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:31:30:25.26.27:29.22.23| Show InChI InChI=1S/C25H36N4O3/c1-16(2)12-20-15-31-11-10-29(20)25-27-23-21(8-5-9-22(23)32-25)24(30)26-17-13-18-6-4-7-19(14-17)28(18)3/h5,8-9,16-20H,4,6-7,10-15H2,1-3H3,(H,26,30)/t18-,19-,20+/m1/s1 | PDB
Reactome pathway
KEGG
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Similars
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PubMed
| 3.5 | 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 | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50334446
((R)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...)Show SMILES CC(C)n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:8.7,(-3.99,-20.22,;-3.02,-19.03,;-1.5,-19.27,;-3.56,-17.59,;-2.53,-15.84,;-3.69,-14.8,;-3.68,-13.26,;-5.02,-12.49,;-5.03,-10.95,;-6.36,-10.19,;-6.36,-8.65,;-5.02,-7.88,;-3.69,-8.65,;-3.69,-10.18,;-5.2,-9.68,;-4.88,-9.04,;-6.35,-13.26,;-7.7,-12.48,;-6.35,-14.81,;-7.69,-15.58,;-7.69,-17.12,;-6.35,-17.89,;-5.02,-17.12,;-5.02,-15.58,)| Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m0/s1 | PDB
Reactome pathway
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| 3.60 | 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)) | BDBM50329742
(CHEMBL1271629 | endo-N-((1R,5R)-9-methyl-9-azabicy...)Show SMILES CCC[C@H]1COCCN1c1nc2c(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/c1-3-6-19-15-30-12-11-28(19)24-26-22-20(9-5-10-21(22)31-24)23(29)25-16-13-17-7-4-8-18(14-16)27(17)2/h5,9-10,16-19H,3-4,6-8,11-15H2,1-2H3,(H,25,29)/t17-,18-,19+/m1/s1 | PDB
Reactome pathway
KEGG
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PubMed
| 3.90 | 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)) | BDBM50334440
((R)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5...)Show SMILES O=c1n(cc2[nH][nH]c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:13.15,(-7.86,1.16,;-6.52,.38,;-5.19,1.14,;-3.85,.37,;-3.86,-1.17,;-2.7,-2.21,;-3.73,-3.95,;-5.19,-3.48,;-6.52,-4.25,;-7.86,-3.48,;-7.85,-1.94,;-6.52,-1.17,;-5.19,-1.94,;-5.2,2.68,;-6.53,3.44,;-6.53,4.98,;-5.19,5.75,;-3.86,4.98,;-3.86,3.45,;-5.37,3.95,;-5.05,4.59,)| Show InChI InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,8,10,14,17-18H,4-7,9H2/t14-/m0/s1 | PDB
Reactome pathway
KEGG
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| 4.40 | 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)) | BDBM50329741
(CHEMBL1271628 | endo-2-((S)-3-ethylmorpholino)-N-(...)Show SMILES CC[C@H]1COCCN1c1nc2c(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/c1-3-16-14-29-11-10-27(16)23-25-21-19(8-5-9-20(21)30-23)22(28)24-15-12-17-6-4-7-18(13-15)26(17)2/h5,8-9,15-18H,3-4,6-7,10-14H2,1-2H3,(H,24,28)/t16-,17+,18+/m0/s1 | PDB
Reactome pathway
KEGG
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Similars
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PubMed
| 4.60 | 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)) | BDBM50329730
((S)-2-amino-6-chloro-N-(quinuclidin-3-yl)benzo[d]o...)Show SMILES Nc1nc2c(cc(Cl)cc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:14.15,TLB:13:14:18.17:20.21,(4.69,-4.73,;3.15,-4.73,;2.24,-3.48,;.76,-3.96,;-.57,-3.2,;-1.9,-3.97,;-1.9,-5.51,;-3.24,-6.28,;-.57,-6.28,;.76,-5.51,;2.24,-5.99,;-.58,-1.66,;-1.91,-.89,;.76,-.88,;.75,.66,;.56,2.04,;2.02,2.68,;3.38,2.08,;3.65,.68,;2.28,1.32,;2.54,3.21,;2.09,4.32,)| Show InChI InChI=1S/C15H17ClN4O2/c16-9-5-10(13-12(6-9)22-15(17)19-13)14(21)18-11-7-20-3-1-8(11)2-4-20/h5-6,8,11H,1-4,7H2,(H2,17,19)(H,18,21)/t11-/m1/s1 | PDB
Reactome pathway
KEGG
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Similars
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PubMed
| 4.70 | 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)) | BDBM50334441
((S)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5...)Show SMILES O=c1n(cc2[nH][nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:13.15,(-.61,1.94,;.74,1.15,;2.06,1.92,;3.4,1.15,;3.4,-.39,;4.55,-1.43,;3.52,-3.18,;2.06,-2.71,;.74,-3.48,;-.6,-2.71,;-.6,-1.16,;.73,-.4,;2.07,-1.16,;2.06,3.46,;.72,4.22,;.73,5.76,;2.06,6.53,;3.39,5.76,;3.39,4.23,;1.89,4.73,;2.21,5.37,)| Show InChI InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,8,10,14,17-18H,4-7,9H2/t14-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 4.90 | 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)) | BDBM50329743
(CHEMBL1271677 | endo-2-((S)-3-isopropylmorpholino)...)Show SMILES CC(C)[C@H]1COCCN1c1nc2c(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/c1-15(2)20-14-30-11-10-28(20)24-26-22-19(8-5-9-21(22)31-24)23(29)25-16-12-17-6-4-7-18(13-16)27(17)3/h5,8-9,15-18,20H,4,6-7,10-14H2,1-3H3,(H,25,29)/t17-,18-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50014556
(CHEMBL3261486 | US9045501, 25)Show SMILES O=C1N(CCn2c3c1cccc3[nH]c2=O)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(7.11,-8.33,;8.59,-8.78,;9.64,-7.63,;11.18,-7.75,;12.05,-9.02,;11.61,-10.5,;10.17,-11.07,;8.83,-10.31,;7.5,-11.08,;7.5,-12.62,;8.83,-13.39,;10.16,-12.62,;11.64,-13.1,;12.55,-11.84,;14.09,-11.86,;9.08,-6.2,;7.55,-5.98,;6.99,-4.54,;7.95,-3.33,;9.47,-3.57,;10.03,-5,;9.08,-3.96,;8.32,-5.3,)| Show InChI InChI=1S/C17H20N4O2/c22-16-12-2-1-3-13-15(12)21(17(23)18-13)9-8-20(16)14-10-19-6-4-11(14)5-7-19/h1-3,11,14H,4-10H2,(H,18,23)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | 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)) | BDBM50014551
(CHEMBL3261482)Show SMILES Fc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(13.49,-14.18,;14.83,-13.41,;14.83,-11.87,;16.16,-11.1,;15.92,-9.57,;14.45,-9.12,;16.97,-8.43,;18.51,-8.55,;19.38,-9.82,;18.94,-11.29,;19.88,-12.64,;18.97,-13.89,;17.49,-13.41,;16.16,-14.18,;17.5,-11.87,;16.41,-6.99,;14.88,-6.77,;14.32,-5.33,;15.28,-4.13,;16.81,-4.36,;17.36,-5.79,;16.41,-4.76,;15.65,-6.09,)| Show InChI InChI=1S/C17H19FN4O/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
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.40 | 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)) | BDBM50329747
(2-((3S,5S)-3,5-dimethylmorpholino)-N-((S)-quinucli...)Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wU:1.0,wD:20.22,5.5,TLB:19:20:24.23:26.27,(46.08,-23.8,;46.85,-25.13,;48.39,-25.12,;49.17,-26.46,;48.39,-27.8,;46.86,-27.8,;46.08,-29.13,;46.09,-26.46,;44.55,-26.46,;43.64,-25.21,;42.16,-25.69,;40.83,-24.93,;39.5,-25.7,;39.5,-27.24,;40.83,-28.01,;42.17,-27.24,;43.64,-27.72,;40.82,-23.39,;39.49,-22.62,;42.16,-22.61,;42.15,-21.07,;41.96,-19.69,;43.43,-19.05,;44.78,-19.65,;45.05,-21.05,;43.69,-20.41,;43.94,-18.52,;43.5,-17.41,)| Show InChI InChI=1S/C21H28N4O3/c1-13-11-27-12-14(2)25(13)21-23-19-16(4-3-5-18(19)28-21)20(26)22-17-10-24-8-6-15(17)7-9-24/h3-5,13-15,17H,6-12H2,1-2H3,(H,22,26)/t13-,14-,17+/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | 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)) | BDBM50334449
((R)-2-benzyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)Show SMILES O=c1n(cc2[nH]n(Cc3ccccc3)c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:20.23,(21.21,-11.04,;22.56,-11.82,;23.88,-11.05,;25.22,-11.82,;25.22,-13.37,;26.37,-14.4,;25.34,-16.15,;26.1,-17.48,;25.33,-18.81,;23.79,-18.79,;23.01,-20.12,;23.77,-21.46,;25.32,-21.46,;26.09,-20.13,;23.88,-15.68,;22.56,-16.45,;21.22,-15.68,;21.22,-14.14,;22.56,-13.37,;23.89,-14.14,;23.88,-9.52,;22.55,-8.75,;22.55,-7.21,;23.88,-6.44,;25.21,-7.21,;25.21,-8.75,;23.71,-8.24,;24.03,-7.61,)| Show InChI InChI=1S/C23H24N4O/c28-23-18-7-4-8-20-22(18)19(24-27(20)13-16-5-2-1-3-6-16)14-26(23)21-15-25-11-9-17(21)10-12-25/h1-8,14,17,21,24H,9-13,15H2/t21-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 7.10 | 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)) | BDBM50334451
((S)-2-(4-fluorophenyl)-7-(quinuclidin-3-yl)-7,8-di...)Show SMILES Fc1ccc(cc1)-n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:12.12,(46.59,-23.52,;46.04,-22.08,;44.52,-21.83,;43.97,-20.4,;44.95,-19.21,;46.46,-19.44,;47.01,-20.88,;44.4,-17.77,;45.43,-16.02,;44.28,-14.98,;44.28,-13.44,;42.94,-12.67,;42.94,-11.13,;41.6,-10.37,;41.61,-8.83,;42.94,-8.06,;44.27,-8.83,;44.27,-10.36,;42.77,-9.86,;43.09,-9.22,;41.62,-13.44,;40.27,-12.65,;41.61,-14.99,;40.28,-15.76,;40.28,-17.3,;41.62,-18.07,;42.94,-17.3,;42.95,-15.75,)| Show InChI InChI=1S/C22H21FN4O/c23-15-4-6-16(7-5-15)27-19-3-1-2-17-21(19)18(24-27)12-26(22(17)28)20-13-25-10-8-14(20)9-11-25/h1-7,12,14,20,24H,8-11,13H2/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | 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)) | BDBM50014550
(CHEMBL3261481 | US9045501, 7)Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(5.44,-9.73,;6.92,-10.18,;7.97,-9.03,;9.51,-9.15,;10.38,-10.42,;9.94,-11.9,;10.88,-13.24,;9.97,-14.5,;8.49,-14.02,;7.16,-14.79,;5.83,-14.02,;5.83,-12.48,;7.16,-11.71,;8.5,-12.47,;7.41,-7.6,;5.88,-7.38,;5.32,-5.94,;6.28,-4.73,;7.8,-4.97,;8.36,-6.4,;7.41,-5.36,;6.65,-6.7,)| Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10 | 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)) | BDBM50329728
(CHEMBL1272073 | endo-2-cyclopropyl-N-((1R,5R)-9-me...)Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)C1CC1 |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C20H25N3O2/c1-23-14-4-2-5-15(23)11-13(10-14)21-19(24)16-6-3-7-17-18(16)22-20(25-17)12-8-9-12/h3,6-7,12-15H,2,4-5,8-11H2,1H3,(H,21,24)/t14-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | 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)) | BDBM50329754
((S)-2-(diethylamino)-N-(quinuclidin-3-yl)benzo[d]o...)Show SMILES CCN(CC)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:17.18,TLB:16:17:21.20:23.24,(.57,-1.9,;-.97,-1.9,;-1.74,-3.24,;-.97,-4.57,;.57,-4.56,;-3.28,-3.24,;-4.19,-1.99,;-5.66,-2.47,;-7,-1.7,;-8.32,-2.47,;-8.33,-4.02,;-6.99,-4.79,;-5.66,-4.02,;-4.19,-4.49,;-7,-.16,;-8.34,.6,;-5.67,.61,;-5.67,2.15,;-5.87,3.53,;-4.4,4.18,;-3.05,3.57,;-2.77,2.17,;-4.14,2.81,;-3.88,4.71,;-4.33,5.81,)| Show InChI InChI=1S/C19H26N4O2/c1-3-23(4-2)19-21-17-14(6-5-7-16(17)25-19)18(24)20-15-12-22-10-8-13(15)9-11-22/h5-7,13,15H,3-4,8-12H2,1-2H3,(H,20,24)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.4 | 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)) | BDBM50329739
(CHEMBL1271570 | endo-N-(8-methyl-8-azabicyclo[3.2....)Show SMILES C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:28:27:22.23.24:26.19.20| Show InChI InChI=1S/C22H30N4O3/c1-14-13-28-10-9-26(14)22-24-20-18(7-4-8-19(20)29-22)21(27)23-15-11-16-5-3-6-17(12-15)25(16)2/h4,7-8,14-17H,3,5-6,9-13H2,1-2H3,(H,23,27)/t14-,16+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.9 | 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)) | BDBM50329729
((S)-2-amino-N-(quinuclidin-3-yl)benzo[d]oxazole-4-...)Show SMILES Nc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:13.14,TLB:12:13:17.16:19.20,(3.57,-5.44,;2.04,-5.44,;1.13,-4.19,;-.35,-4.67,;-1.68,-3.9,;-3.01,-4.67,;-3.01,-6.22,;-1.68,-6.99,;-.35,-6.22,;1.13,-6.7,;-1.69,-2.36,;-3.02,-1.6,;-.36,-1.59,;-.36,-.05,;-.56,1.33,;.91,1.98,;2.26,1.37,;2.54,-.03,;1.17,.61,;1.43,2.51,;.98,3.61,)| Show InChI InChI=1S/C15H18N4O2/c16-15-18-13-10(2-1-3-12(13)21-15)14(20)17-11-8-19-6-4-9(11)5-7-19/h1-3,9,11H,4-8H2,(H2,16,18)(H,17,20)/t11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.8 | 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)) | BDBM50014554
(CHEMBL3261485)Show SMILES COc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(1.85,-13.55,;3.19,-14.32,;4.52,-13.55,;4.52,-12.01,;5.85,-11.24,;5.61,-9.71,;4.14,-9.26,;6.67,-8.57,;8.2,-8.69,;9.08,-9.96,;8.63,-11.43,;9.57,-12.78,;8.66,-14.03,;7.19,-13.55,;5.85,-14.32,;7.19,-12.01,;6.1,-7.13,;4.57,-6.91,;4.01,-5.47,;4.98,-4.27,;6.5,-4.5,;7.06,-5.93,;6.1,-4.9,;5.34,-6.23,)| Show InChI InChI=1S/C18H22N4O2/c1-24-14-8-13-10-19-22-7-6-21(18(23)15(9-14)17(13)22)16-11-20-4-2-12(16)3-5-20/h8-10,12,16H,2-7,11H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | 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)) | BDBM50329726
(CHEMBL1272017 | endo-2-(2-methoxyphenyl)-N-((1R,5R...)Show SMILES COc1ccccc1-c1nc2c(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/C24H27N3O3/c1-27-16-7-5-8-17(27)14-15(13-16)25-23(28)19-10-6-12-21-22(19)26-24(30-21)18-9-3-4-11-20(18)29-2/h3-4,6,9-12,15-17H,5,7-8,13-14H2,1-2H3,(H,25,28)/t16-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14.9 | 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)) | BDBM50329731
(CHEMBL1272174 | endo-N-((1R,5R)-9-methyl-9-azabicy...)Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)-c1ccccc1 |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C23H25N3O2/c1-26-17-9-5-10-18(26)14-16(13-17)24-22(27)19-11-6-12-20-21(19)25-23(28-20)15-7-3-2-4-8-15/h2-4,6-8,11-12,16-18H,5,9-10,13-14H2,1H3,(H,24,27)/t17-,18-/m1/s1 | PDB
Reactome pathway
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| 15.1 | 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)) | BDBM50329732
(CHEMBL1272175 | endo-2-(4-fluorophenyl)-N-((1R,5R)...)Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)-c1ccc(F)cc1 |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C23H24FN3O2/c1-27-17-4-2-5-18(27)13-16(12-17)25-22(28)19-6-3-7-20-21(19)26-23(29-20)14-8-10-15(24)11-9-14/h3,6-11,16-18H,2,4-5,12-13H2,1H3,(H,25,28)/t17-,18-/m1/s1 | PDB
Reactome pathway
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| 16.3 | 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)) | BDBM50329751
(CHEMBL1271904 | endo-N-((1R,5R)-9-methyl-9-azabicy...)Show SMILES C[C@H]1CNCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:28:27:22.23.24:26.19.20| Show InChI InChI=1S/C22H31N5O2/c1-14-13-23-9-10-27(14)22-25-20-18(7-4-8-19(20)29-22)21(28)24-15-11-16-5-3-6-17(12-15)26(16)2/h4,7-8,14-17,23H,3,5-6,9-13H2,1-2H3,(H,24,28)/t14-,16+,17+/m0/s1 | PDB
Reactome pathway
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| 16.5 | 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 | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329733
(CHEMBL1272230 | endo-2-(4-chlorophenyl)-N-((1R,5R)...)Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)-c1ccc(Cl)cc1 |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C23H24ClN3O2/c1-27-17-4-2-5-18(27)13-16(12-17)25-22(28)19-6-3-7-20-21(19)26-23(29-20)14-8-10-15(24)11-9-14/h3,6-11,16-18H,2,4-5,12-13H2,1H3,(H,25,28)/t17-,18-/m1/s1 | PDB
Reactome pathway
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| 18 | 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)) | BDBM50329756
((S)-2-(dimethylamino)-N-(quinuclidin-3-yl)benzo[d]...)Show SMILES CN(C)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:15.16,TLB:14:15:19.18:21.22,(4.16,-5.27,;3.39,-3.94,;4.15,-2.6,;1.85,-3.94,;.94,-2.69,;-.54,-3.17,;-1.87,-2.4,;-3.2,-3.17,;-3.2,-4.72,;-1.87,-5.49,;-.53,-4.72,;.94,-5.19,;-1.88,-.86,;-3.21,-.1,;-.54,-.09,;-.55,1.45,;-.74,2.83,;.73,3.48,;2.08,2.87,;2.35,1.47,;.99,2.11,;1.24,4.01,;.8,5.11,)| Show InChI InChI=1S/C17H22N4O2/c1-20(2)17-19-15-12(4-3-5-14(15)23-17)16(22)18-13-10-21-8-6-11(13)7-9-21/h3-5,11,13H,6-10H2,1-2H3,(H,18,22)/t13-/m1/s1 | PDB
Reactome pathway
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| 18.2 | 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)) | BDBM50329734
(CHEMBL1272231 | endo-2-(4-methoxyphenyl)-N-((1R,5R...)Show SMILES COc1ccc(cc1)-c1nc2c(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/C24H27N3O3/c1-27-17-5-3-6-18(27)14-16(13-17)25-23(28)20-7-4-8-21-22(20)26-24(30-21)15-9-11-19(29-2)12-10-15/h4,7-12,16-18H,3,5-6,13-14H2,1-2H3,(H,25,28)/t17-,18-/m1/s1 | PDB
Reactome pathway
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| 18.8 | 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)) | BDBM50334450
((R)-2-(4-fluorophenyl)-7-(quinuclidin-3-yl)-7,8-di...)Show SMILES Fc1ccc(cc1)-n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:12.12,(36.32,-23.94,;35.77,-22.51,;34.25,-22.26,;33.7,-20.83,;34.67,-19.63,;36.19,-19.87,;36.74,-21.31,;34.13,-18.2,;35.16,-16.45,;34,-15.41,;34.01,-13.87,;32.67,-13.1,;32.66,-11.56,;31.33,-10.8,;31.33,-9.25,;32.67,-8.48,;34,-9.26,;34,-10.79,;32.49,-10.29,;32.81,-9.65,;31.34,-13.87,;29.99,-13.08,;31.34,-15.41,;30,-16.18,;30,-17.73,;31.34,-18.5,;32.67,-17.73,;32.67,-16.18,)| Show InChI InChI=1S/C22H21FN4O/c23-15-4-6-16(7-5-15)27-19-3-1-2-17-21(19)18(24-27)12-26(22(17)28)20-13-25-10-8-14(20)9-11-25/h1-7,12,14,20,24H,8-11,13H2/t20-/m0/s1 | PDB
Reactome pathway
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| 23.4 | 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)) | BDBM50329727
((S)-2-cyclopropyl-N-(quinuclidin-3-yl)benzo[d]oxaz...)Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)C1CC1 |r,wD:3.2,TLB:2:3:7.6:9.10,(3.1,1.5,;4.44,.73,;5.77,1.51,;5.77,3.05,;5.57,4.43,;7.04,5.08,;8.39,4.47,;8.67,3.07,;7.3,3.71,;7.56,5.61,;7.11,6.71,;4.44,-.81,;3.11,-1.58,;3.11,-3.13,;4.45,-3.9,;5.78,-3.12,;7.25,-3.6,;8.17,-2.35,;7.25,-1.09,;5.78,-1.57,;9.7,-2.34,;11.04,-3.11,;11.03,-1.57,)| Show InChI InChI=1S/C18H21N3O2/c22-17(19-14-10-21-8-6-11(14)7-9-21)13-2-1-3-15-16(13)20-18(23-15)12-4-5-12/h1-3,11-12,14H,4-10H2,(H,19,22)/t14-/m1/s1 | PDB
Reactome pathway
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| 32.7 | 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 | |
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