Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) with all data for entry = 50034789
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
TBA

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
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
TBA

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
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50366367(CHEMBL1788272)
Show SMILES Nc1ccc2C(=O)N([C@H]3C[N+]4(CCl)CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C20H20ClN3O2/c21-11-24-8-6-12(7-9-24)17(10-24)23-19(25)14-3-1-2-13-16(22)5-4-15(18(13)14)20(23)26/h1-5,12,17H,6-11H2,(H-,22,25,26)/p+1/t12?,17-,24?/m0/s1
Affinity DataKi:  0.350nMAssay Description:Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50031475(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-/m0/s1
Affinity DataKi:  2.60nMAssay Description:Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50366368(CHEMBL1788271)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[N+]2(CCl)CCC1CC2
Show InChI InChI=1S/C16H21Cl2N3O2/c1-23-15-7-13(19)12(18)6-11(15)16(22)20-14-8-21(9-17)4-2-10(14)3-5-21/h6-7,10,14H,2-5,8-9H2,1H3,(H2-,19,20,22)/p+1/t10?,14-,21?/m1/s1
Affinity DataKi:  15nMAssay Description:Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50450241(CHEMBL2093061)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[N+]2(CCl)CCC1CC2
Show InChI InChI=1S/C16H21Cl2N3O2/c1-23-15-7-13(19)12(18)6-11(15)16(22)20-14-8-21(9-17)4-2-10(14)3-5-21/h6-7,10,14H,2-5,8-9H2,1H3,(H2-,19,20,22)/p+1/t10?,14-,21?/m0/s1
Affinity DataKi:  20nMAssay Description:Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50280500(6-Amino-2-(S)-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-/m1/s1
Affinity DataKi:  24nMAssay Description:Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50366369(CHEMBL1744070)
Show SMILES Nc1ccc2C(=O)N([C@@H]3C[N+]4(CCl)CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C20H20ClN3O2/c21-11-24-8-6-12(7-9-24)17(10-24)23-19(25)14-3-1-2-13-16(22)5-4-15(18(13)14)20(23)26/h1-5,12,17H,6-11H2,(H-,22,25,26)/p+1/t12?,17-,24?/m1/s1
Affinity DataKi:  328nMAssay Description:Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligandMore data for this Ligand-Target Pair