Compile Data Set for Download or QSAR

Found 796 hits of ic50 data for polymerid = 5103,5137   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor expressed in xenopus oocytes assessed as inhibition of 5HT-induced effect by electrophysiological method				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221600 (US9303045, 87 | US9695195, 87) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cn(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C20H25FN2O2/c1-22-14-5-4-6-15(22)12-16(11-14)25-20(24)18-13-23(10-9-21)19-8-3-2-7-17(18)19/h2-3,7-8,13-16H,4-6,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221600 (US9303045, 87 | US9695195, 87) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cn(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C20H25FN2O2/c1-22-14-5-4-6-15(22)12-16(11-14)25-20(24)18-13-23(10-9-21)19-8-3-2-7-17(18)19/h2-3,7-8,13-16H,4-6,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221544 (US9303045, 30 | US9695195, 30) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1c(Cl)n(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C20H24ClFN2O2/c1-23-13-5-4-6-14(23)12-15(11-13)26-20(25)18-16-7-2-3-8-17(16)24(10-9-22)19(18)21/h2-3,7-8,13-15H,4-6,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221544 (US9303045, 30 | US9695195, 30) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1c(Cl)n(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C20H24ClFN2O2/c1-23-13-5-4-6-14(23)12-15(11-13)26-20(25)18-16-7-2-3-8-17(16)24(10-9-22)19(18)21/h2-3,7-8,13-15H,4-6,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221592 (US9303045, 127 | US9303045, 79 | US9695195, 127) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H24FN3O2/c1-22-14-8-13(9-15(22)12-25-11-14)21-19(24)17-10-23(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,6-9,11-12H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221592 (US9303045, 127 | US9303045, 79 | US9695195, 127) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H24FN3O2/c1-22-14-8-13(9-15(22)12-25-11-14)21-19(24)17-10-23(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,6-9,11-12H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221601 (US9303045, 88 | US9695195, 88) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1c(C)n(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H27FN2O2/c1-14-20(18-8-3-4-9-19(18)24(14)11-10-22)21(25)26-17-12-15-6-5-7-16(13-17)23(15)2/h3-4,8-9,15-17H,5-7,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221601 (US9303045, 88 | US9695195, 88) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1c(C)n(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H27FN2O2/c1-14-20(18-8-3-4-9-19(18)24(14)11-10-22)21(25)26-17-12-15-6-5-7-16(13-17)23(15)2/h3-4,8-9,15-17H,5-7,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221622 (US9303045, 113 | US9695195, 113) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H23F2N3O2/c1-23-13-6-12(7-14(23)11-26-10-13)22-19(25)16-8-24(9-18(20)21)17-5-3-2-4-15(16)17/h2-5,8,12-14,18H,6-7,9-11H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221622 (US9303045, 113 | US9695195, 113) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H23F2N3O2/c1-23-13-6-12(7-14(23)11-26-10-13)22-19(25)16-8-24(9-18(20)21)17-5-3-2-4-15(16)17/h2-5,8,12-14,18H,6-7,9-11H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221572 (US9303045, 58 | US9695195, 58) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H21F3N2O3/c1-23-12-5-14(6-13(23)10-26-9-12)27-19(25)16-7-24(8-18(21)22)17-3-2-11(20)4-15(16)17/h2-4,7,12-14,18H,5-6,8-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221572 (US9303045, 58 | US9695195, 58) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H21F3N2O3/c1-23-12-5-14(6-13(23)10-26-9-12)27-19(25)16-7-24(8-18(21)22)17-3-2-11(20)4-15(16)17/h2-4,7,12-14,18H,5-6,8-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221624 (US9303045, 117 | US9303045, 123 | US9695195, 123) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cccnn2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H23N5O2/c1-25-15-9-14(10-16(25)13-28-12-15)23-21(27)18-11-26(20-7-4-8-22-24-20)19-6-3-2-5-17(18)19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221624 (US9303045, 117 | US9303045, 123 | US9695195, 123) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cccnn2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H23N5O2/c1-25-15-9-14(10-16(25)13-28-12-15)23-21(27)18-11-26(20-7-4-8-22-24-20)19-6-3-2-5-17(18)19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221610 (US9303045, 99 | US9695195, 99) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H21FN2O5S/c1-20-12-6-14(7-13(20)10-25-9-12)26-18(22)16-8-21(27(2,23)24)17-4-3-11(19)5-15(16)17/h3-5,8,12-14H,6-7,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221610 (US9303045, 99 | US9695195, 99) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H21FN2O5S/c1-20-12-6-14(7-13(20)10-25-9-12)26-18(22)16-8-21(27(2,23)24)17-4-3-11(19)5-15(16)17/h3-5,8,12-14H,6-7,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221654 (US9303045, 159 | US9695195, 159) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC#N)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H22N4O2/c1-22-14-8-13(9-15(22)12-25-11-14)21-19(24)17-10-23(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,7-9,11-12H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.298	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221654 (US9303045, 159 | US9695195, 159) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC#N)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H22N4O2/c1-22-14-8-13(9-15(22)12-25-11-14)21-19(24)17-10-23(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,7-9,11-12H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221651 (US9303045, 154 | US9695195, 154) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncn2C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H25N5O2/c1-24-13-22-9-20(24)26-10-18(17-5-3-4-6-19(17)26)21(27)23-14-7-15-11-28-12-16(8-14)25(15)2/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.328	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221561 (US9303045, 47 | US9695195, 47) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(c2ccccc12)S(C)(=O)=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H22N2O5S/c1-19-12-7-14(8-13(19)11-24-10-12)25-18(21)16-9-20(26(2,22)23)17-6-4-3-5-15(16)17/h3-6,9,12-14H,7-8,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221561 (US9303045, 47 | US9695195, 47) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(c2ccccc12)S(C)(=O)=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H22N2O5S/c1-19-12-7-14(8-13(19)11-24-10-12)25-18(21)16-9-20(26(2,22)23)17-6-4-3-5-15(16)17/h3-6,9,12-14H,7-8,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221651 (US9303045, 154 | US9695195, 154) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncn2C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H25N5O2/c1-24-13-22-9-20(24)26-10-18(17-5-3-4-6-19(17)26)21(27)23-14-7-15-11-28-12-16(8-14)25(15)2/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221627 (US9303045, 120 | US9695195, 120) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncnc2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H23N5O2/c1-25-15-6-14(7-16(25)12-28-11-15)24-21(27)19-10-26(17-8-22-13-23-9-17)20-5-3-2-4-18(19)20/h2-5,8-10,13-16H,6-7,11-12H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221627 (US9303045, 120 | US9695195, 120) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncnc2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H23N5O2/c1-25-15-6-14(7-16(25)12-28-11-15)24-21(27)19-10-26(17-8-22-13-23-9-17)20-5-3-2-4-18(19)20/h2-5,8-10,13-16H,6-7,11-12H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221624 (US9303045, 117 | US9303045, 123 | US9695195, 123) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cccnn2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H23N5O2/c1-25-15-9-14(10-16(25)13-28-12-15)23-21(27)18-11-26(20-7-4-8-22-24-20)19-6-3-2-5-17(18)19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221624 (US9303045, 117 | US9303045, 123 | US9695195, 123) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cccnn2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H23N5O2/c1-25-15-9-14(10-16(25)13-28-12-15)23-21(27)18-11-26(20-7-4-8-22-24-20)19-6-3-2-5-17(18)19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221626 (US9303045, 119 | US9695195, 148) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C20H22N4O2S/c1-23-14-6-13(7-15(23)11-26-10-14)22-20(25)17-9-24(19-8-21-12-27-19)18-5-3-2-4-16(17)18/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221622 (US9303045, 113 | US9695195, 113) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H23F2N3O2/c1-23-13-6-12(7-14(23)11-26-10-13)22-19(25)16-8-24(9-18(20)21)17-5-3-2-4-15(16)17/h2-5,8,12-14,18H,6-7,9-11H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221535 (US9303045, 20 | US9695195, 20) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1nn(CC(F)F)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H22F2N4O2/c1-23-12-6-11(7-13(23)10-26-9-12)21-18(25)17-14-4-2-3-5-15(14)24(22-17)8-16(19)20/h2-5,11-13,16H,6-10H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221626 (US9303045, 119 | US9695195, 148) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C20H22N4O2S/c1-23-14-6-13(7-15(23)11-26-10-14)22-20(25)17-9-24(19-8-21-12-27-19)18-5-3-2-4-16(17)18/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221648 (US9303045, 147 | US9695195, 147) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cscn2)c2ncccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H21N5O2S/c1-23-13-5-12(6-14(23)9-26-8-13)22-19(25)16-7-24(17-10-27-11-21-17)18-15(16)3-2-4-20-18/h2-4,7,10-14H,5-6,8-9H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221648 (US9303045, 147 | US9695195, 147) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cscn2)c2ncccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H21N5O2S/c1-23-13-5-12(6-14(23)9-26-8-13)22-19(25)16-7-24(17-10-27-11-21-17)18-15(16)3-2-4-20-18/h2-4,7,10-14H,5-6,8-9H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221679 (US9303045, 21) Show SMILES FC(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2ccccc12 |TLB:9:10:18:13.15.14| Show InChI InChI=1S/C18H21F2N3O2/c19-17(20)8-23-7-15(14-3-1-2-4-16(14)23)18(24)22-11-5-12-9-25-10-13(6-11)21-12/h1-4,7,11-13,17,21H,5-6,8-10H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221626 (US9303045, 119 | US9695195, 148) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C20H22N4O2S/c1-23-14-6-13(7-15(23)11-26-10-14)22-20(25)17-9-24(19-8-21-12-27-19)18-5-3-2-4-16(17)18/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221535 (US9303045, 20 | US9695195, 20) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1nn(CC(F)F)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H22F2N4O2/c1-23-12-6-11(7-13(23)10-26-9-12)21-18(25)17-14-4-2-3-5-15(14)24(22-17)8-16(19)20/h2-5,11-13,16H,6-10H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221649 (US9303045, 148) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ncccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H21N5O2S/c1-23-13-5-12(6-14(23)10-26-9-13)22-19(25)16-8-24(17-7-20-11-27-17)18-15(16)3-2-4-21-18/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221592 (US9303045, 127 | US9303045, 79 | US9695195, 127) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H24FN3O2/c1-22-14-8-13(9-15(22)12-25-11-14)21-19(24)17-10-23(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,6-9,11-12H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221592 (US9303045, 127 | US9303045, 79 | US9695195, 127) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H24FN3O2/c1-22-14-8-13(9-15(22)12-25-11-14)21-19(24)17-10-23(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,6-9,11-12H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221644 (US9303045, 143 | US9695195, 143) Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2cnsc2)c2ccccc12 |TLB:2:3:11:6.8.7| Show InChI InChI=1S/C19H19N3O3S/c23-19(25-15-5-12-9-24-10-13(6-15)21-12)17-8-22(14-7-20-26-11-14)18-4-2-1-3-16(17)18/h1-4,7-8,11-13,15,21H,5-6,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.415	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221587 (US9303045, 74 | US9695195, 74) Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cn(c2ccccc12)S(C)(=O)=O |THB:9:7:1:3.4| Show InChI InChI=1S/C18H23N3O3S/c1-20-13-7-8-14(20)10-12(9-13)19-18(22)16-11-21(25(2,23)24)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221587 (US9303045, 74 | US9695195, 74) Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cn(c2ccccc12)S(C)(=O)=O |THB:9:7:1:3.4| Show InChI InChI=1S/C18H23N3O3S/c1-20-13-7-8-14(20)10-12(9-13)19-18(22)16-11-21(25(2,23)24)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221644 (US9303045, 143 | US9695195, 143) Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2cnsc2)c2ccccc12 |TLB:2:3:11:6.8.7| Show InChI InChI=1S/C19H19N3O3S/c23-19(25-15-5-12-9-24-10-13(6-15)21-12)17-8-22(14-7-20-26-11-14)18-4-2-1-3-16(17)18/h1-4,7-8,11-13,15,21H,5-6,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221574 (US9303045, 60 | US9695195, 60) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C20H23F3N2O2/c1-24-13-3-2-4-14(24)9-15(8-13)27-20(26)17-10-25(11-19(22)23)18-6-5-12(21)7-16(17)18/h5-7,10,13-15,19H,2-4,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221574 (US9303045, 60 | US9695195, 60) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C20H23F3N2O2/c1-24-13-3-2-4-14(24)9-15(8-13)27-20(26)17-10-25(11-19(22)23)18-6-5-12(21)7-16(17)18/h5-7,10,13-15,19H,2-4,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221527 (US9303045, 12 | US9695195, 12) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H25FN4O/c1-23-14-5-4-6-15(23)12-13(11-14)21-19(25)18-16-7-2-3-8-17(16)24(22-18)10-9-20/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221527 (US9303045, 12 | US9695195, 12) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(CCF)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C19H25FN4O/c1-23-14-5-4-6-15(23)12-13(11-14)21-19(25)18-16-7-2-3-8-17(16)24(22-18)10-9-20/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221677 (US9303045, 189 | US9695195, 189) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cncnc2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H22N4O3/c1-24-14-6-17(7-15(24)12-27-11-14)28-21(26)19-10-25(16-8-22-13-23-9-16)20-5-3-2-4-18(19)20/h2-5,8-10,13-15,17H,6-7,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9695195 (2017) BindingDB Entry DOI: 10.7270/Q28050RV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM221677 (US9303045, 189 | US9695195, 189) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cncnc2)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C21H22N4O3/c1-24-14-6-17(7-15(24)12-27-11-14)28-21(26)19-10-25(16-8-22-13-23-9-16)20-5-3-2-4-18(19)20/h2-5,8-10,13-15,17H,6-7,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...				US Patent US9303045 (2016) BindingDB Entry DOI: 10.7270/Q2NZ86HD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM233390 (US9346829, 29) Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2cn[nH]c2)c2ccccc12 Show InChI InChI=1S/C20H22N4O3/c1-23-13-6-16(7-14(23)12-26-11-13)27-20(25)18-10-24(15-8-21-22-9-15)19-5-3-2-4-17(18)19/h2-5,8-10,13-14,16H,6-7,11-12H2,1H3,(H,21,22)/t13-,14+,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.462	n/a	n/a	n/a	n/a	n/a	37
Takeda Phamaceutical Company Limited US Patent					Assay Description The 5-HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux ...				US Patent US9346829 (2016) BindingDB Entry DOI: 10.7270/Q2MK6BRB
					More data for this Ligand-Target Pair

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