Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50036084   

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)	BDBM50004276 (1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxyl...) Show SMILES CC(C)n1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:16:17:24:20.21| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004292 (2-Isopropoxy-quinoline-4-carboxylic acid 8-methyl-...) Show SMILES CC(C)Oc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O3/c1-13(2)25-20-12-18(17-6-4-5-7-19(17)22-20)21(24)26-16-10-14-8-9-15(11-16)23(14)3/h4-7,12-16H,8-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004279 (2-Propoxy-quinoline-4-carboxylic acid 8-methyl-8-a...) Show SMILES CCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O3/c1-3-10-25-20-13-18(17-6-4-5-7-19(17)22-20)21(24)26-16-11-14-8-9-15(12-16)23(14)2/h4-7,13-16H,3,8-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004288 (2-Butoxy-quinoline-4-carboxylic acid 8-methyl-8-az...) Show SMILES CCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:10:11:18:14.15| Show InChI InChI=1S/C22H28N2O3/c1-3-4-11-26-21-14-19(18-7-5-6-8-20(18)23-21)22(25)27-17-12-15-9-10-16(13-17)24(15)2/h5-8,14-17H,3-4,9-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004284 (2-Isobutoxy-quinoline-4-carboxylic acid 8-methyl-8...) Show SMILES CC(C)COc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:10:11:18:14.15| Show InChI InChI=1S/C22H28N2O3/c1-14(2)13-26-21-12-19(18-6-4-5-7-20(18)23-21)22(25)27-17-10-15-8-9-16(11-17)24(15)3/h4-7,12,14-17H,8-11,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004268 (2-Oxo-1-propyl-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:16:17:24:20.21| Show InChI InChI=1S/C21H26N2O3/c1-3-10-23-19-7-5-4-6-17(19)18(13-20(23)24)21(25)26-16-11-14-8-9-15(12-16)22(14)2/h4-7,13-16H,3,8-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004297 (1-Isobutyl-2-oxo-1,2-dihydro-quinoline-4-carboxyli...) Show SMILES CC(C)Cn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:17:18:25:21.22| Show InChI InChI=1S/C22H28N2O3/c1-14(2)13-24-20-7-5-4-6-18(20)19(12-21(24)25)22(26)27-17-10-15-8-9-16(11-17)23(15)3/h4-7,12,14-17H,8-11,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004278 (2-Oxo-1-phenyl-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)n(-c2ccccc2)c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C24H24N2O3/c1-25-17-11-12-18(25)14-19(13-17)29-24(28)21-15-23(27)26(16-7-3-2-4-8-16)22-10-6-5-9-20(21)22/h2-10,15,17-19H,11-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004286 (2-Methoxy-quinoline-4-carboxylic acid 8-methyl-8-a...) Show SMILES COc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:7:8:15:11.12| Show InChI InChI=1S/C19H22N2O3/c1-21-12-7-8-13(21)10-14(9-12)24-19(22)16-11-18(23-2)20-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004287 (1-Butyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...) Show SMILES CCCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:17:18:25:21.22| Show InChI InChI=1S/C22H28N2O3/c1-3-4-11-24-20-8-6-5-7-18(20)19(14-21(24)25)22(26)27-17-12-15-9-10-16(13-17)23(15)2/h5-8,14-17H,3-4,9-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004295 (2-Pentyloxy-quinoline-4-carboxylic acid 8-methyl-8...) Show SMILES CCCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:11:12:19:15.16| Show InChI InChI=1S/C23H30N2O3/c1-3-4-7-12-27-22-15-20(19-8-5-6-9-21(19)24-22)23(26)28-18-13-16-10-11-17(14-18)25(16)2/h5-6,8-9,15-18H,3-4,7,10-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004282 (2-Ethoxy-quinoline-4-carboxylic acid 8-methyl-8-az...) Show SMILES CCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:8:9:16:12.13| Show InChI InChI=1S/C20H24N2O3/c1-3-24-19-12-17(16-6-4-5-7-18(16)21-19)20(23)25-15-10-13-8-9-14(11-15)22(13)2/h4-7,12-15H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004296 (2-Oxo-1-pentyl-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CCCCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:18:19:26:22.23| Show InChI InChI=1S/C23H30N2O3/c1-3-4-7-12-25-21-9-6-5-8-19(21)20(15-22(25)26)23(27)28-18-13-16-10-11-17(14-18)24(16)2/h5-6,8-9,15-18H,3-4,7,10-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004273 (1-Ethyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...) Show SMILES CCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:15:16:23:19.20| Show InChI InChI=1S/C20H24N2O3/c1-3-22-18-7-5-4-6-16(18)17(12-19(22)23)20(24)25-15-10-13-8-9-14(11-15)21(13)2/h4-7,12-15H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004300 (1-Hexyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...) Show SMILES CCCCCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:19:20:27:23.24| Show InChI InChI=1S/C24H32N2O3/c1-3-4-5-8-13-26-22-10-7-6-9-20(22)21(16-23(26)27)24(28)29-19-14-17-11-12-18(15-19)25(17)2/h6-7,9-10,16-19H,3-5,8,11-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004266 (1-Benzyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)n(Cc2ccccc2)c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C25H26N2O3/c1-26-18-11-12-19(26)14-20(13-18)30-25(29)22-15-24(28)27(16-17-7-3-2-4-8-17)23-10-6-5-9-21(22)23/h2-10,15,18-20H,11-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004291 (1-(3-Methyl-butyl)-2-oxo-1,2-dihydro-quinoline-4-c...) Show SMILES CC(C)CCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:18:19:26:22.23| Show InChI InChI=1S/C23H30N2O3/c1-15(2)10-11-25-21-7-5-4-6-19(21)20(14-22(25)26)23(27)28-18-12-16-8-9-17(13-18)24(16)3/h4-7,14-18H,8-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50000483 ((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004299 (1-Methyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)n(C)c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C19H22N2O3/c1-20-12-7-8-13(20)10-14(9-12)24-19(23)16-11-18(22)21(2)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004271 (2-Hexyloxy-quinoline-4-carboxylic acid 8-methyl-8-...) Show SMILES CCCCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C24H32N2O3/c1-3-4-5-8-13-28-23-16-21(20-9-6-7-10-22(20)25-23)24(27)29-19-14-17-11-12-18(15-19)26(17)2/h6-7,9-10,16-19H,3-5,8,11-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004275 (2-Oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-me...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)[nH]c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C18H20N2O3/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-17(21)19-16-5-3-2-4-14(15)16/h2-5,10-13H,6-9H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004290 (CHEMBL147262 | Quinoline-4-carboxylic acid 8-methy...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1ccnc2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C18H20N2O2/c1-20-12-6-7-13(20)11-14(10-12)22-18(21)16-8-9-19-17-5-3-2-4-15(16)17/h2-5,8-9,12-14H,6-7,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM85330 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004294 (1-Butyl-2-oxo-1,2,3,4-tetrahydro-quinoline-4-carbo...) Show SMILES CCCCN1C(=O)CC(C(=O)OC2CC3CCC(C2)N3C)c2ccccc12 |TLB:11:12:19:15.16| Show InChI InChI=1S/C22H30N2O3/c1-3-4-11-24-20-8-6-5-7-18(20)19(14-21(24)25)22(26)27-17-12-15-9-10-16(13-17)23(15)2/h5-8,15-17,19H,3-4,9-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004285 (2-Butoxy-quinoline-4-carboxylic acid (8-methyl-8-a...) Show SMILES CCCCOc1cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:10:11:18:14.15| Show InChI InChI=1S/C22H29N3O2/c1-3-4-11-27-21-14-19(18-7-5-6-8-20(18)24-21)22(26)23-15-12-16-9-10-17(13-15)25(16)2/h5-8,14-17H,3-4,9-13H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004289 (2-Propoxy-quinoline-4-carboxylic acid (8-methyl-8-...) Show SMILES CCCOc1cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C21H27N3O2/c1-3-10-26-20-13-18(17-6-4-5-7-19(17)23-20)21(25)22-14-11-15-8-9-16(12-14)24(15)2/h4-7,13-16H,3,8-12H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004293 (1-Butyl-6-methyl-2-oxo-1,2-dihydro-quinoline-4-car...) Show SMILES CCCCn1c2ccc(C)cc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:18:19:26:22.23| Show InChI InChI=1S/C23H30N2O3/c1-4-5-10-25-21-9-6-15(2)11-19(21)20(14-22(25)26)23(27)28-18-12-16-7-8-17(13-18)24(16)3/h6,9,11,14,16-18H,4-5,7-8,10,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004298 (2-Isopropoxy-quinoline-4-carboxylic acid (8-methyl...) Show SMILES CC(C)Oc1cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C21H27N3O2/c1-13(2)26-20-12-18(17-6-4-5-7-19(17)23-20)21(25)22-14-10-15-8-9-16(11-14)24(15)3/h4-7,12-16H,8-11H2,1-3H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004281 (1-Butyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...) Show SMILES CCCCn1c2ccccc2c(cc1=O)C(=O)NC1CC2CCC(C1)N2C |TLB:17:18:25:21.22| Show InChI InChI=1S/C22H29N3O2/c1-3-4-11-25-20-8-6-5-7-18(20)19(14-21(25)26)22(27)23-15-12-16-9-10-17(13-15)24(16)2/h5-8,14-17H,3-4,9-13H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004272 (2-Oxo-1-phenyl-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cc(=O)n(-c2ccccc2)c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C24H25N3O2/c1-26-18-11-12-19(26)14-16(13-18)25-24(29)21-15-23(28)27(17-7-3-2-4-8-17)22-10-6-5-9-20(21)22/h2-10,15-16,18-19H,11-14H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004267 (2-Oxo-1-propyl-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CCCn1c2ccccc2c(cc1=O)C(=O)NC1CC2CCC(C1)N2C |TLB:16:17:24:20.21| Show InChI InChI=1S/C21H27N3O2/c1-3-10-24-19-7-5-4-6-17(19)18(13-20(24)25)21(26)22-14-11-15-8-9-16(12-14)23(15)2/h4-7,13-16H,3,8-12H2,1-2H3,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004277 (2-Oxo-1,2-dihydro-quinoline-4-carboxylic acid (8-m...) Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cc(=O)[nH]c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)19-18(23)15-10-17(22)20-16-5-3-2-4-14(15)16/h2-5,10-13H,6-9H2,1H3,(H,19,23)(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004283 (1-Butyl-3-ethyl-2-oxo-1,2-dihydro-quinoline-4-carb...) Show SMILES CCCCn1c2ccccc2c(C(=O)NC2CC3CCC(C2)N3C)c(CC)c1=O |TLB:14:15:22:18.19| Show InChI InChI=1S/C24H33N3O2/c1-4-6-13-27-21-10-8-7-9-20(21)22(19(5-2)24(27)29)23(28)25-16-14-17-11-12-18(15-16)26(17)3/h7-10,16-18H,4-6,11-15H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004280 (CHEMBL434652 | Quinoline-4-carboxylic acid (8-meth...) Show SMILES CN1C2CCC1CC(C2)NC(=O)c1ccnc2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C18H21N3O/c1-21-13-6-7-14(21)11-12(10-13)20-18(22)16-8-9-19-17-5-3-2-4-15(16)17/h2-5,8-9,12-14H,6-7,10-11H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004270 (1-Methyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cc(=O)n(C)c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C19H23N3O2/c1-21-13-7-8-14(21)10-12(9-13)20-19(24)16-11-18(23)22(2)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3,(H,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004274 (1-Butyl-3-ethyl-2-oxo-1,2-dihydro-quinoline-4-carb...) Show SMILES CCCCn1c2ccccc2c(C(=O)OC2CC3CCC(C2)N3C)c(CC)c1=O |TLB:14:15:22:18.19| Show InChI InChI=1S/C24H32N2O3/c1-4-6-13-26-21-10-8-7-9-20(21)22(19(5-2)23(26)27)24(28)29-18-14-16-11-12-17(15-18)25(16)3/h7-10,16-18H,4-6,11-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15 .				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair