Compile Data Set for Download or QSAR
Found 62 Enz. Inhib. hit(s) with all data for entry = 50036775
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083188(7-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES Nc1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H18ClN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
Affinity DataKi:  0.240nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083174(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1
Show InChI InChI=1S/C15H17BrN4O/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:  0.280nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083186(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1
Show InChI InChI=1S/C15H17BrN4O/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)
Affinity DataKi:  0.290nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083197(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)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)
Affinity DataKi:  0.290nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083182(7-Amino-6-bromo-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES Nc1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H18BrN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
Affinity DataKi:  0.420nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083191(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-/m0/s1
Affinity DataKi:  0.760nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
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
Affinity DataKi:  0.770nMAssay Description:Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083196(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)/t11-/m1/s1
Affinity DataKi:  1.70nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083184(7-Amino-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Nc1ccc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H19N5O/c16-11-2-1-10(13-14(11)18-8-17-13)15(21)19-12-7-20-5-3-9(12)4-6-20/h1-2,8-9,12H,3-7,16H2,(H,17,18)(H,19,21)
Affinity DataKi:  2.40nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083195(1H-Benzoimidazole-4-carboxylic acid ((S)-4-ethyl-1...)
Show SMILES CCC1CCN(C)C[C@H]1NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H22N4O/c1-3-11-7-8-20(2)9-14(11)19-16(21)12-5-4-6-13-15(12)18-10-17-13/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,17,18)(H,19,21)/t11?,14-/m1/s1
Affinity DataKi:  2.60nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083176(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1
Show InChI InChI=1S/C15H17BrN4O/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-/m0/s1
Affinity DataKi:  3.40nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083192(1H-Benzoimidazole-4-carboxylic acid (1-aza-bicyclo...)
Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12
Show InChI InChI=1S/C15H18N4O/c20-15(11-2-1-3-12-14(11)17-9-16-12)18-13-8-19-6-4-10(13)5-7-19/h1-3,9-10,13H,4-8H2,(H,16,17)(H,18,20)
Affinity DataKi:  3.70nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083194(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)
Affinity DataKi:  5.20nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083181(6-Bromo-7-nitro-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES [O-][N+](=O)c1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H16BrN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)
Affinity DataKi:  8.80nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083185(6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-aza...)
Show SMILES Clc1cc(C(=O)OC2CN3CCC2CC3)c2nc[nH]c2c1
Show InChI InChI=1S/C15H16ClN3O2/c16-10-5-11(14-12(6-10)17-8-18-14)15(20)21-13-7-19-3-1-9(13)2-4-19/h5-6,8-9,13H,1-4,7H2,(H,17,18)
Affinity DataKi:  9.30nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083183(6-Chloro-1H-benzoimidazole-4-carboxylic acid (8-me...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1S/C16H19ClN4O/c1-21-11-2-3-12(21)7-10(6-11)20-16(22)13-4-9(17)5-14-15(13)19-8-18-14/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,18,19)(H,20,22)
Affinity DataKi:  17nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083198(1H-Benzoimidazole-4-carboxylic acid ((R)-4-ethyl-1...)
Show SMILES CCC1CCN(C)C[C@@H]1NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H22N4O/c1-3-11-7-8-20(2)9-14(11)19-16(21)12-5-4-6-13-15(12)18-10-17-13/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,17,18)(H,19,21)/t11?,14-/m0/s1
Affinity DataKi:  38nMAssay 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 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083174(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1
Show InChI InChI=1S/C15H17BrN4O/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:  38nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083193(6-Chloro-1H-benzoimidazole-4-carboxylic acid 8-met...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12
Show InChI InChI=1S/C16H18ClN3O2/c1-20-10-2-3-11(20)7-12(6-10)22-16(21)13-4-9(17)5-14-15(13)19-8-18-14/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,18,19)
Affinity DataKi:  61nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083189(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1S/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
Affinity DataKi:  83nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083178(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
Affinity DataKi:  89nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083178(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
Affinity DataKi:  89nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083177(1H-Benzoimidazole-4-carboxylic acid (8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H20N4O/c1-20-11-5-6-12(20)8-10(7-11)19-16(21)13-3-2-4-14-15(13)18-9-17-14/h2-4,9-12H,5-8H2,1H3,(H,17,18)(H,19,21)
Affinity DataKi:  118nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083175(1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C17H21N3O2/c1-20-11-4-2-5-12(20)9-13(8-11)22-17(21)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)
Affinity DataKi:  129nMAssay Description:Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083189(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1S/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
Affinity DataKi:  154nMAssay 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 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083189(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1S/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
Affinity DataKi:  167nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083197(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)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)
Affinity DataKi:  168nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083186(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1
Show InChI InChI=1S/C15H17BrN4O/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)
Affinity DataKi:  168nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083179(1H-Benzoimidazole-4-carboxylic acid 1-aza-bicyclo[...)
Show SMILES O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12
Show InChI InChI=1S/C15H17N3O2/c19-15(11-2-1-3-12-14(11)17-9-16-12)20-13-8-18-6-4-10(13)5-7-18/h1-3,9-10,13H,4-8H2,(H,16,17)
Affinity DataKi:  185nMAssay 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 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083188(7-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES Nc1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H18ClN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
Affinity DataKi:  187nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083191(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-/m0/s1
Affinity DataKi:  205nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083182(7-Amino-6-bromo-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES Nc1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H18BrN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
Affinity DataKi:  227nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083187(1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C17H22N4O/c1-21-12-4-2-5-13(21)9-11(8-12)20-17(22)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)(H,20,22)
Affinity DataKi:  230nMAssay 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/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083187(1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C17H22N4O/c1-21-12-4-2-5-13(21)9-11(8-12)20-17(22)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)(H,20,22)
Affinity DataKi:  230nMAssay 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 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083176(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1
Show InChI InChI=1S/C15H17BrN4O/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-/m0/s1
Affinity DataKi:  270nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083183(6-Chloro-1H-benzoimidazole-4-carboxylic acid (8-me...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1S/C16H19ClN4O/c1-21-11-2-3-12(21)7-10(6-11)20-16(22)13-4-9(17)5-14-15(13)19-8-18-14/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,18,19)(H,20,22)
Affinity DataKi:  319nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083193(6-Chloro-1H-benzoimidazole-4-carboxylic acid 8-met...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12
Show InChI InChI=1S/C16H18ClN3O2/c1-20-10-2-3-11(20)7-12(6-10)22-16(21)13-4-9(17)5-14-15(13)19-8-18-14/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,18,19)
Affinity DataKi:  356nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083185(6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-aza...)
Show SMILES Clc1cc(C(=O)OC2CN3CCC2CC3)c2nc[nH]c2c1
Show InChI InChI=1S/C15H16ClN3O2/c16-10-5-11(14-12(6-10)17-8-18-14)15(20)21-13-7-19-3-1-9(13)2-4-19/h5-6,8-9,13H,1-4,7H2,(H,17,18)
Affinity DataKi:  440nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083175(1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C17H21N3O2/c1-20-11-4-2-5-12(20)9-13(8-11)22-17(21)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)
Affinity DataKi:  678nMAssay Description:Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083184(7-Amino-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Nc1ccc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H19N5O/c16-11-2-1-10(13-14(11)18-8-17-13)15(21)19-12-7-20-5-3-9(12)4-6-20/h1-2,8-9,12H,3-7,16H2,(H,17,18)(H,19,21)
Affinity DataKi:  779nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083178(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083180(1H-Benzoimidazole-4-carboxylic acid 8-methyl-8-aza...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H19N3O2/c1-19-10-5-6-11(19)8-12(7-10)21-16(20)13-3-2-4-14-15(13)18-9-17-14/h2-4,9-12H,5-8H2,1H3,(H,17,18)
Affinity DataKi: >1.00E+3nMAssay Description:Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083196(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)/t11-/m1/s1
Affinity DataKi: >1.00E+3nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
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
Affinity DataKi: >1.00E+3nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083192(1H-Benzoimidazole-4-carboxylic acid (1-aza-bicyclo...)
Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12
Show InChI InChI=1S/C15H18N4O/c20-15(11-2-1-3-12-14(11)17-9-16-12)18-13-8-19-6-4-10(13)5-7-19/h1-3,9-10,13H,4-8H2,(H,16,17)(H,18,20)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083178(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083194(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12
Show InChI InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083187(1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C17H22N4O/c1-21-12-4-2-5-13(21)9-11(8-12)20-17(22)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)(H,20,22)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(RAT)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50083189(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1S/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.More data for this Ligand-Target Pair
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