Compile Data Set for Download or QSAR
Found 3537 Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A'
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50417287(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)
Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
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
Affinity DataKi:  0.0316nMAssay Description:Binding affinity to 5HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50004276(1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxyl...)
Show SMILES CC(C)n1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C
Show InChI InChI=1S/C21H26N2O3/c1-13(2)23-19-7-5-4-6-17(19)18(12-20(23)24)21(25)26-16-10-14-8-9-15(11-16)22(14)3/h4-7,12-16H,8-11H2,1-3H3
Affinity DataKi:  0.0320nMAssay Description:Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060242(5-[3-(3,5-Dichloro-phenyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H14Cl2N4O/c1-9-13(18-8-17-9)7-19-2-3-20(14(19)21)12-5-10(15)4-11(16)6-12/h4-6,8H,2-3,7H2,1H3,(H,17,18)/p+1
Affinity DataKi:  0.0380nMAssay Description:In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortexMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50417287(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)
Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
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
Affinity DataKi:  0.0400nMAssay Description:Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazineChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50459886(CHEMBL261010)
Show SMILES CN1CCN(CC1)c1nc2ccccc2nc1Cl
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
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]granisetron from human 5-HT3A receptor expressed in HEK293 cells by scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50288283(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
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
Affinity DataKi:  0.0500nMAssay Description:Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50397290(CHEMBL475331 | VUF-10147)
Show SMILES CN1CCN(CC1)c1nc(N)c2ccccc2n1
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)
Affinity DataKi:  0.0513nMAssay Description:Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazineMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50288283(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
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
Affinity DataKi:  0.0520nMAssay Description:Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat CNS.More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50334454(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)
Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12
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
Affinity DataKi:  0.0600nMAssay Description:Binding affinity to human 5HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50334454(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)
Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12
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
Affinity DataKi:  0.0600nM ΔG°:  -58.3kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50167011(4-(4-Methyl-piperazin-1-yl)-2,3-dihydro-1H-cyclope...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCc12
Show InChI InChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-15-7-4-6-13(15)14-5-2-3-8-16(14)18-17/h2-3,5,8H,4,6-7,9-12H2,1H3
Affinity DataKi:  0.0708nMAssay Description:Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonistMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50288283(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
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
Affinity DataKi:  0.0750nMAssay Description:Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using [125I]-DAIZAC as the radioligand.More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50042715(1-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-...)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C18H19N3O/c1-12-16(20-11-19-12)7-8-17(22)15-10-21-9-3-5-13-4-2-6-14(15)18(13)21/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,19,20)
Affinity DataKi:  0.0750nMAssay Description:The binding affinity of the compound was measured on histamine H1 receptor using [3H]- mepyramine as radioligand.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50166996(2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...)
Show SMILES CCCc1c(nc2ccccc2c1C(=O)OCC)N1CCN(C)CC1
Show InChI InChI=1S/C20H27N3O2/c1-4-8-16-18(20(24)25-5-2)15-9-6-7-10-17(15)21-19(16)23-13-11-22(3)12-14-23/h6-7,9-10H,4-5,8,11-14H2,1-3H3
Affinity DataKi:  0.0800nMAssay Description:Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50063263(6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3
Affinity DataKi:  0.0977nMAssay Description:Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonistMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50288587(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50063264(6-Piperazin-1-yl-7,8,9,10-tetrahydro-phenanthridin...)
Show SMILES C1CCc2c(C1)c(nc1ccccc21)N1CCNCC1
Show InChI InChI=1S/C17H21N3/c1-2-7-15-13(5-1)14-6-3-4-8-16(14)19-17(15)20-11-9-18-10-12-20/h3-4,6,8,18H,1-2,5,7,9-12H2
Affinity DataKi:  0.100nMAssay Description:Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonistMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50167002(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CCCN(CCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C22H32N4O/c1-5-11-26(12-6-2)22(27)20-17(3)21(25-15-13-24(4)14-16-25)23-19-10-8-7-9-18(19)20/h7-10H,5-6,11-16H2,1-4H3
Affinity DataKi:  0.110nMAssay Description:Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50056419(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
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
Affinity DataKi:  0.110nMAssay Description:In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50083190(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
Affinity DataKi:  0.130nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50214493(CHEMBL145033 | RS-16456)
Show SMILES CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@@H]1CN2CCC1CC2
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-/m1/s1
Affinity DataKi:  0.138nMAssay Description:Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-zacopride from ondansetron-treated NG-108-15 cell membranesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50214492(CHEMBL145725 | RS-16566)
Show SMILES CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@H]1CN2CCC1CC2
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
Affinity DataKi:  0.145nMAssay Description:Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-zacopride from ondansetron-treated NG-108-15 cell membranesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50280507(6-Amino-2-(R)-1-aza-bicyclo[2.2.2]oct-3-yl-benzo[d...)
Show SMILES Nc1ccc2C(=O)N([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H19N3O2/c20-15-5-4-14-17-12(15)2-1-3-13(17)18(23)22(19(14)24)16-10-21-8-6-11(16)7-9-21/h1-5,11,16H,6-10,20H2/t16-/m0/s1
Affinity DataKi:  0.150nMAssay Description:Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor of isolated guinea pig ileum (GPI)More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50282053(4-Amino-2-(1-aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]...)
Show SMILES Nc1ccc2cccc3C(=O)N(C4CN5CCC4CC5)C(=O)c1c23
Show InChI InChI=1S/C19H19N3O2/c20-14-5-4-12-2-1-3-13-16(12)17(14)19(24)22(18(13)23)15-10-21-8-6-11(15)7-9-21/h1-5,11,15H,6-10,20H2
Affinity DataKi:  0.150nMAssay Description:Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50280507(6-Amino-2-(R)-1-aza-bicyclo[2.2.2]oct-3-yl-benzo[d...)
Show SMILES Nc1ccc2C(=O)N([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H19N3O2/c20-15-5-4-14-17-12(15)2-1-3-13(17)18(23)22(19(14)24)16-10-21-8-6-11(16)7-9-21/h1-5,11,16H,6-10,20H2/t16-/m0/s1
Affinity DataKi:  0.150nMAssay Description:Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50000453(CHEMBL540055)
Show SMILES COc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O
Show InChI InChI=1S/C17H20N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3;1H/t15-;/m1./s1
Affinity DataKi:  0.160nMAssay Description:Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazineChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50000523(CHEMBL544784)
Show SMILES O=c1n(cc2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C19H22N2O.ClH/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;/h2,4,6,11,13,17H,1,3,5,7-10,12H2;1H/t17-;/m1./s1
Affinity DataKi:  0.160nMAssay Description:Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazineChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50230549(CHEMBL366617)
Show SMILES Clc1cc2[C@@H]3CCCC[C@@H]3Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)/t14-,17+,18-/m0/s1
Affinity DataKi:  0.170nMAssay Description:Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50307815(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
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
Affinity DataKi:  0.170nMAssay Description:Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50167013(4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-c...)
Show SMILES CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(C)CC1
Show InChI InChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)14-7-5-6-8-15(14)19-17(16)21-11-9-20(3)10-12-21/h5-8H,4,9-12H2,1-3H3
Affinity DataKi:  0.170nMAssay Description:Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50056419(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
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
Affinity DataKi:  0.182nMAssay Description:Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H]-BRL 43694 from NG-108-15 cell membranesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50000485((S)-2-(5-chlorospiro[2,3-dihydrobenzo[b]furan-2,1'...)
Show SMILES Clc1cc2CC3(CCCCC3)Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C21H27ClN2O2/c22-16-10-15-12-21(6-2-1-3-7-21)26-19(15)17(11-16)20(25)23-18-13-24-8-4-14(18)5-9-24/h10-11,14,18H,1-9,12-13H2,(H,23,25)/t18-/m1/s1
Affinity DataKi:  0.190nMAssay Description:Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50231569(Cilansetron | KC-9946)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
Affinity DataKi:  0.190nMAssay Description:The binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]GR-65630 as radioligand.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50042718(1-(3,4-Dihydro-5-thia-2a-aza-acenaphthylen-1-yl)-3...)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cn2CCSc3cccc1c23
Show InChI InChI=1S/C17H17N3OS/c1-11-14(19-10-18-11)5-6-15(21)13-9-20-7-8-22-16-4-2-3-12(13)17(16)20/h2-4,9-10H,5-8H2,1H3,(H,18,19)
Affinity DataKi:  0.190nMAssay Description:The binding affinity of the compound was measured on alpha2-adrenergic receptor using [3H]- clonidine as radioligand.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50056419(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
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
Affinity DataKi:  0.200nMAssay Description:Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN)More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50288590(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)O[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O3/c17-12-7-11(15-10(14(12)18)3-6-21-15)16(20)22-13-8-19-4-1-9(13)2-5-19/h7,9,13H,1-6,8,18H2/t13-/m1/s1
Affinity DataKi:  0.200nMAssay Description:Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50056419(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
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
Affinity DataKi:  0.200nMAssay Description:Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50056419(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
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
Affinity DataKi:  0.200nMAssay Description:Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50014549(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23
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
Affinity DataKi:  0.200nM ΔG°:  -55.4kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50056419(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
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
Affinity DataKi:  0.200nMAssay Description:Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50000457(CHEMBL542904)
Show SMILES CCc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2
Show InChI InChI=1S/C18H24N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,14,17H,2,6-12H2,1H3;1H
Affinity DataKi:  0.200nMAssay Description:Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazineChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50000450(CHEMBL542669)
Show SMILES COc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2
Show InChI InChI=1S/C17H22N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,12,15H,5-11H2,1H3;1H
Affinity DataKi:  0.200nMAssay Description:Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazineChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50000471(CHEMBL542900)
Show SMILES CCc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O
Show InChI InChI=1S/C18H22N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,8,11,14,17H,2,6-7,9-10,12H2,1H3;1H/t17-;/m1./s1
Affinity DataKi:  0.200nMAssay Description:Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazineChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50014549(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23
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
Affinity DataKi:  0.200nMAssay Description:Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50056419(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
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
Affinity DataKi:  0.200nMAssay Description:Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 as radioligand in rat posterior cortexMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 3A(Mus musculus (house mouse))
Medical Research Council Centre

Curated by PDSP Ki Database
LigandPNGBDBM82473(CAS_124006 | GR 65630 | NSC_124006)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C16H17N3O/c1-11-13(18-10-17-11)7-8-16(20)15-9-12-5-3-4-6-14(12)19(15)2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
Affinity DataKi:  0.210nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50167015(3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...)
Show SMILES CCOC(=O)c1c(CC)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C19H25N3O2/c1-4-14-17(19(23)24-5-2)15-8-6-7-9-16(15)20-18(14)22-12-10-21(3)11-13-22/h6-9H,4-5,10-13H2,1-3H3
Affinity DataKi:  0.210nMAssay Description:Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50307826(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
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
Affinity DataKi:  0.230nMAssay Description:Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50368604(CHEMBL1907770)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@]12CN3CC1C2CC3
Show InChI InChI=1S/C15H18ClN3O2/c1-21-13-5-12(17)11(16)4-8(13)14(20)18-15-7-19-3-2-9(15)10(15)6-19/h4-5,9-10H,2-3,6-7,17H2,1H3,(H,18,20)/t9?,10?,15-/m1/s1
Affinity DataKi:  0.230nMAssay Description:Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50042714(9-(2-Methyl-imidazol-1-ylmethyl)-4,5,8,9-tetrahydr...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCn2c13
Show InChI InChI=1S/C19H19N3O/c1-12-20-8-10-21(12)11-14-5-6-16-17(19(14)23)15-4-2-3-13-7-9-22(16)18(13)15/h2-4,8,10,14H,5-7,9,11H2,1H3
Affinity DataKi:  0.230nMAssay Description:Displacement of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortical membranesMore data for this Ligand-Target Pair
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