Compile Data Set for Download or QSAR

Found 162 hits Enz. Inhib. hit(s) with all data for entry = 57   

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 (Homo sapiens (Human))	BDBM221600 (US9303045, 87 | US9695195, 87) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cn(CCF)c2ccccc12 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	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 Co., Ltd 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))	BDBM221544 (US9303045, 30 | US9695195, 30) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1c(Cl)n(CCF)c2ccccc12 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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))	BDBM221572 (US9303045, 58 | US9695195, 58) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12 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	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 Co., Ltd 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 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	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 Co., Ltd 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))	BDBM221610 (US9303045, 99 | US9695195, 99) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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))	BDBM221644 (US9303045, 143 | US9695195, 143) Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2cnsc2)c2ccccc12 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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 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	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 Co., Ltd 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))	BDBM221577 (US9303045, 63 | US9695195, 63) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccc(F)cc12 Show InChI InChI=1S/C19H22F3N3O2/c1-24-13-5-12(6-14(24)10-27-9-13)23-19(26)16-7-25(8-18(21)22)17-3-2-11(20)4-15(16)17/h2-4,7,12-14,18H,5-6,8-10H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221523 (US9303045, 7 | US9695195, 7) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(CC(F)F)c2ccccc12 Show InChI InChI=1S/C19H24F2N4O/c1-24-13-5-4-6-14(24)10-12(9-13)22-19(26)18-15-7-2-3-8-16(15)25(23-18)11-17(20)21/h2-3,7-8,12-14,17H,4-6,9-11H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221550 (US9303045, 36 | US9695195, 36) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O Show InChI InChI=1S/C18H22FN3O4S/c1-21-13-6-12(7-14(21)10-26-9-13)20-18(23)16-8-22(27(2,24)25)17-4-3-11(19)5-15(16)17/h3-5,8,12-14H,6-7,9-10H2,1-2H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221530 (US9303045, 15 | US9695195, 15) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c(C)n(CCF)c2ccccc12 Show InChI InChI=1S/C20H25FN2O2/c1-13-19(17-5-3-4-6-18(17)23(13)10-9-21)20(24)25-16-11-14-7-8-15(12-16)22(14)2/h3-6,14-16H,7-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221570 (US9303045, 56 | US9695195, 56) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(CCF)c2ccccc12 Show InChI InChI=1S/C19H23FN2O2/c1-21-13-6-7-14(21)11-15(10-13)24-19(23)17-12-22(9-8-20)18-5-3-2-4-16(17)18/h2-5,12-15H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221524 (US9303045, 112 | US9303045, 8 | US9695195, 112) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ccccc12 Show InChI InChI=1S/C19H22F3N3O2/c1-24-13-6-12(7-14(24)10-27-9-13)23-18(26)16-8-25(11-19(20,21)22)17-5-3-2-4-15(16)17/h2-5,8,12-14H,6-7,9-11H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221540 (US9303045, 26 | US9695195, 26) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(c2ccccc12)S(C)(=O)=O Show InChI InChI=1S/C18H22N2O4S/c1-19-12-7-8-13(19)10-14(9-12)24-18(21)16-11-20(25(2,22)23)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221549 (US9303045, 35 | US9695195, 35) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12 Show InChI InChI=1S/C19H21F4N3O2/c1-25-13-5-12(6-14(25)9-28-8-13)24-18(27)16-7-26(10-19(21,22)23)17-3-2-11(20)4-15(16)17/h2-4,7,12-14H,5-6,8-10H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221633 (US9303045, 129 | US9303045, 130 | US9695195, 130) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cnccn2)c2ccccc12 Show InChI InChI=1S/C21H23N5O2/c1-25-15-8-14(9-16(25)13-28-12-15)24-21(27)18-11-26(20-10-22-6-7-23-20)19-5-3-2-4-17(18)19/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221526 (US9303045, 10 | US9303045, 111 | US9695195, 111) Show SMILES CC(C)S(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc12 Show InChI InChI=1S/C20H27N3O4S/c1-13(2)28(25,26)23-10-18(17-6-4-5-7-19(17)23)20(24)21-14-8-15-11-27-12-16(9-14)22(15)3/h4-7,10,13-16H,8-9,11-12H2,1-3H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221560 (US9303045, 46 | US9695195, 46) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(c2ccccc12)S(C)(=O)=O Show InChI InChI=1S/C18H24N4O3S/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(20-17)26(2,24)25/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM98817 (US9695195, 51) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(CCF)c2ccccc12 Show InChI InChI=1S/C19H23FN2O3/c1-21-13-8-15(9-14(21)12-24-11-13)25-19(23)17-10-22(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,6-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221662 (US9303045, 169 | US9695195, 169) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccc(O)nn2)c2ccccc12 Show InChI InChI=1S/C21H22N4O4/c1-24-13-8-15(9-14(24)12-28-11-13)29-21(27)17-10-25(18-5-3-2-4-16(17)18)19-6-7-20(26)23-22-19/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221645 (US9303045, 144 | US9695195, 144) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cnsc2)c2ccccc12 Show InChI InChI=1S/C20H22N4O2S/c1-23-14-6-13(7-15(23)11-26-10-14)22-20(25)18-9-24(16-8-21-27-12-16)19-5-3-2-4-17(18)19/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221633 (US9303045, 129 | US9303045, 130 | US9695195, 130) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cnccn2)c2ccccc12 Show InChI InChI=1S/C21H23N5O2/c1-25-15-8-14(9-16(25)13-28-12-15)24-21(27)18-11-26(20-10-22-6-7-23-20)19-5-3-2-4-17(18)19/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221602 (US9303045, 89 | US9695195, 89) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12 Show InChI InChI=1S/C20H22F4N2O2/c1-25-13-3-2-4-14(25)9-15(8-13)28-19(27)17-10-26(11-20(22,23)24)18-6-5-12(21)7-16(17)18/h5-7,10,13-15H,2-4,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221641 (US9303045, 137 | US9695195, 137) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccc(F)nn2)c2ccccc12 Show InChI InChI=1S/C21H21FN4O3/c1-25-13-8-15(9-14(25)12-28-11-13)29-21(27)17-10-26(18-5-3-2-4-16(17)18)20-7-6-19(22)23-24-20/h2-7,10,13-15H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221630 (US9303045, 126 | US9695195, 126) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1nn(CC(F)(F)F)c2ccccc12 Show InChI InChI=1S/C18H21F3N4O2/c1-24-12-6-11(7-13(24)9-27-8-12)22-17(26)16-14-4-2-3-5-15(14)25(23-16)10-18(19,20)21/h2-5,11-13H,6-10H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221647 (US9303045, 146 | US9695195, 146) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2nccs2)c2ncccc12 Show InChI InChI=1S/C19H21N5O2S/c1-23-13-7-12(8-14(23)11-26-10-13)22-18(25)16-9-24(19-21-5-6-27-19)17-15(16)3-2-4-20-17/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221548 (US9303045, 34 | US9695195, 34) Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O Show InChI InChI=1S/C19H23FN2O4S/c1-21-13-4-3-5-14(21)10-15(9-13)26-19(23)17-11-22(27(2,24)25)18-7-6-12(20)8-16(17)18/h6-8,11,13-15H,3-5,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221603 (US9303045, 90 | US9695195, 90) Show SMILES CN1C2CCC1CC(C2)NC(=O)c1nn(CC(F)F)c2ccccc12 Show InChI InChI=1S/C18H22F2N4O/c1-23-12-6-7-13(23)9-11(8-12)21-18(25)17-14-4-2-3-5-15(14)24(22-17)10-16(19)20/h2-5,11-13,16H,6-10H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221576 (US9303045, 62 | US9695195, 62) Show SMILES CN1C2CCC1CC(C2)NC(=O)c1nn(c2ccccc12)S(C)(=O)=O Show InChI InChI=1S/C17H22N4O3S/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)21(19-16)25(2,23)24/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221678 (US9303045, 190 | US9695195, 190) Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccnnc2)c2ccccc12 Show InChI InChI=1S/C21H23N5O2/c1-25-16-8-14(9-17(25)13-28-12-16)24-21(27)19-11-26(15-6-7-22-23-10-15)20-5-3-2-4-18(19)20/h2-7,10-11,14,16-17H,8-9,12-13H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221655 (US9303045, 160 | US9695195, 160) Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(CCF)c2ccc(cc12)C#N Show InChI InChI=1S/C20H22FN3O3/c1-23-14-7-16(8-15(23)12-26-11-14)27-20(25)18-10-24(5-4-21)19-3-2-13(9-22)6-17(18)19/h2-3,6,10,14-16H,4-5,7-8,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221526 (US9303045, 10 | US9303045, 111 | US9695195, 111) Show SMILES CC(C)S(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc12 Show InChI InChI=1S/C20H27N3O4S/c1-13(2)28(25,26)23-10-18(17-6-4-5-7-19(17)23)20(24)21-14-8-15-11-27-12-16(9-14)22(15)3/h4-7,10,13-16H,8-9,11-12H2,1-3H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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))	BDBM221554 (US9303045, 40 | US9695195, 40) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccccc12 Show InChI InChI=1S/C19H22F2N2O2/c1-22-12-6-7-13(22)9-14(8-12)25-19(24)16-10-23(11-18(20)21)17-5-3-2-4-15(16)17/h2-5,10,12-14,18H,6-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Co., Ltd 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

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