Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50034834   

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/3B (Rattus norvegicus-RAT)	BDBM50083197 (6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...) Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |THB:6:7:13.14:11.10,(-1.03,-3.27,;.07,-4.38,;1.41,-3.61,;2.74,-4.39,;4.08,-3.62,;4.09,-2.08,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-5.93,;3.88,-6.97,;3.25,-8.38,;1.71,-8.22,;1.4,-6.7,;.07,-5.91,)| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50083192 (1H-Benzoimidazole-4-carboxylic acid (1-aza-bicyclo...) Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(4.09,-2.08,;4.08,-3.62,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-4.39,;1.41,-3.61,;.07,-4.38,;.07,-5.91,;1.4,-6.7,;1.71,-8.22,;3.25,-8.38,;3.88,-6.97,;2.74,-5.93,)| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50083178 (6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:10:8:1:3.5.4| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50083187 (1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50083185 (6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-aza...) Show SMILES Clc1cc(C(=O)OC2CN3CCC2CC3)c2nc[nH]c2c1 |THB:6:7:13.14:11.10,(5.6,-10.41,;6.94,-11.18,;8.27,-10.41,;9.61,-11.2,;10.95,-10.44,;10.95,-8.9,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.12,-9.66,;15.36,-8.29,;14.4,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.6,-12.74,;10.74,-13.77,;10.11,-15.19,;8.57,-15.03,;8.27,-13.51,;6.94,-12.72,)| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50105630 (6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-me...) Show SMILES CN1CCC(CC1)NC(=O)c1cc(Cl)cc2nc[nH]c12 Show InChI InChI=1S/C14H17ClN4O/c1-19-4-2-10(3-5-19)18-14(20)11-6-9(15)7-12-13(11)17-8-16-12/h6-8,10H,2-5H2,1H3,(H,16,17)(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50105630 (6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-me...) Show SMILES CN1CCC(CC1)NC(=O)c1cc(Cl)cc2nc[nH]c12 Show InChI InChI=1S/C14H17ClN4O/c1-19-4-2-10(3-5-19)18-14(20)11-6-9(15)7-12-13(11)17-8-16-12/h6-8,10H,2-5H2,1H3,(H,16,17)(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50083175 (1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50105651 (1H-Benzoimidazole-4-carboxylic acid (1-methyl-pipe...) Show SMILES CN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12 Show InChI InChI=1S/C14H18N4O/c1-18-7-5-10(6-8-18)17-14(19)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50083189 (6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |THB:10:8:1:3.5.4| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50083189 (6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |THB:10:8:1:3.5.4| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50083197 (6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...) Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |THB:6:7:13.14:11.10,(-1.03,-3.27,;.07,-4.38,;1.41,-3.61,;2.74,-4.39,;4.08,-3.62,;4.09,-2.08,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-5.93,;3.88,-6.97,;3.25,-8.38,;1.71,-8.22,;1.4,-6.7,;.07,-5.91,)| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50083179 (1H-Benzoimidazole-4-carboxylic acid 1-aza-bicyclo[...) Show SMILES O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(10.95,-8.9,;10.95,-10.44,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.13,-9.66,;15.36,-8.29,;14.41,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.61,-11.2,;8.27,-10.42,;6.94,-11.19,;6.94,-12.73,;8.27,-13.51,;8.57,-15.03,;10.11,-15.19,;10.74,-13.78,;9.6,-12.74,)| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50083185 (6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-aza...) Show SMILES Clc1cc(C(=O)OC2CN3CCC2CC3)c2nc[nH]c2c1 |THB:6:7:13.14:11.10,(5.6,-10.41,;6.94,-11.18,;8.27,-10.41,;9.61,-11.2,;10.95,-10.44,;10.95,-8.9,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.12,-9.66,;15.36,-8.29,;14.4,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.6,-12.74,;10.74,-13.77,;10.11,-15.19,;8.57,-15.03,;8.27,-13.51,;6.94,-12.72,)| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50105651 (1H-Benzoimidazole-4-carboxylic acid (1-methyl-pipe...) Show SMILES CN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12 Show InChI InChI=1S/C14H18N4O/c1-18-7-5-10(6-8-18)17-14(19)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	719	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50105632 (1H-Benzoimidazole-4-carboxylic acid 1-methyl-piper...) Show SMILES CN1CCC(CC1)OC(=O)c1cccc2nc[nH]c12 Show InChI InChI=1S/C14H17N3O2/c1-17-7-5-10(6-8-17)19-14(18)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50083192 (1H-Benzoimidazole-4-carboxylic acid (1-aza-bicyclo...) Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(4.09,-2.08,;4.08,-3.62,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-4.39,;1.41,-3.61,;.07,-4.38,;.07,-5.91,;1.4,-6.7,;1.71,-8.22,;3.25,-8.38,;3.88,-6.97,;2.74,-5.93,)| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50083178 (6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:10:8:1:3.5.4| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50083187 (1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50083179 (1H-Benzoimidazole-4-carboxylic acid 1-aza-bicyclo[...) Show SMILES O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(10.95,-8.9,;10.95,-10.44,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.13,-9.66,;15.36,-8.29,;14.41,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.61,-11.2,;8.27,-10.42,;6.94,-11.19,;6.94,-12.73,;8.27,-13.51,;8.57,-15.03,;10.11,-15.19,;10.74,-13.78,;9.6,-12.74,)| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50083175 (1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4| 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50105632 (1H-Benzoimidazole-4-carboxylic acid 1-methyl-piper...) Show SMILES CN1CCC(CC1)OC(=O)c1cccc2nc[nH]c12 Show InChI InChI=1S/C14H17N3O2/c1-17-7-5-10(6-8-17)19-14(18)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor				Bioorg Med Chem Lett 6: 1195-1198 (1996) Article DOI: 10.1016/0960-894X(96)00200-4 BindingDB Entry DOI: 10.7270/Q23J3DGF
					More data for this Ligand-Target Pair