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Patent code US9695195

Compile Data Set for Download or QSAR
Found 162 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221600
PNG
(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
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n/an/a 0.180n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221544
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221592
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221601
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221622
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221572
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221624
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221610
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221654
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221651
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221561
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221627
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221624
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221626
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221535
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221648
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221622
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221626
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221592
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221587
PNG
(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)
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n/an/a 0.420n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221644
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221574
PNG
(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
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n/an/a 0.440n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221527
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221677
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221523
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221577
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221550
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221530
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221570
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221524
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221549
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221540
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221633
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221526
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221560
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM98817
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221662
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221645
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221633
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221602
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221630
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221641
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221647
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221548
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221678
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221576
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221655
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221603
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221526
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221554
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221607
PNG
(US9303045, 96 | US9695195, 96)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn([C@H]2CCOC2)c2ccccc12
Show InChI InChI=1S/C21H26N2O3/c1-22-14-6-7-15(22)11-17(10-14)26-21(24)19-12-23(16-8-9-25-13-16)20-5-3-2-4-18(19)20/h2-5,12,14-17H,6-11,13H2,1H3/t14?,15?,16-,17?/m0/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221562
PNG
(US9303045, 48 | US9695195, 48)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ncccc12
Show InChI InChI=1S/C18H21F2N3O3/c1-22-11-5-13(6-12(22)10-25-9-11)26-18(24)15-7-23(8-16(19)20)17-14(15)3-2-4-21-17/h2-4,7,11-13,16H,5-6,8-10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221630
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221625
PNG
(US9303045, 118 | US9695195, 118)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2nccs2)c2ccccc12
Show InChI InChI=1S/C20H22N4O2S/c1-23-14-8-13(9-15(23)12-26-11-14)22-19(25)17-10-24(20-21-6-7-27-20)18-5-3-2-4-16(17)18/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,22,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221650
PNG
(US9303045, 153 | US9695195, 153)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccsn2)c2ccccc12
Show InChI InChI=1S/C20H22N4O2S/c1-23-14-8-13(9-15(23)12-26-11-14)21-20(25)17-10-24(19-6-7-27-22-19)18-5-3-2-4-16(17)18/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,21,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM107985
PNG
(US9695195, 95)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccccc12
Show InChI InChI=1S/C19H21F3N2O2/c1-23-12-6-7-13(23)9-14(8-12)26-18(25)16-10-24(11-19(20,21)22)17-5-3-2-4-15(16)17/h2-5,10,12-14H,6-9,11H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221541
PNG
(US9303045, 27 | US9695195, 27)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C19H21F3N2O2/c1-23-12-3-4-13(23)8-14(7-12)26-19(25)16-9-24(10-18(21)22)17-5-2-11(20)6-15(16)17/h2,5-6,9,12-14,18H,3-4,7-8,10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221569
PNG
(US9303045, 55 | US9695195, 55)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c(Cl)n(CCF)c2ccccc12
Show InChI InChI=1S/C19H22ClFN2O2/c1-22-12-6-7-13(22)11-14(10-12)25-19(24)17-15-4-2-3-5-16(15)23(9-8-21)18(17)20/h2-5,12-14H,6-11H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221640
PNG
(US9303045, 136 | US9695195, 136)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2cccnn2)c2ccccc12
Show InChI InChI=1S/C20H20N4O3/c25-20(27-15-8-13-11-26-12-14(9-15)22-13)17-10-24(19-6-3-7-21-23-19)18-5-2-1-4-16(17)18/h1-7,10,13-15,22H,8-9,11-12H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221528
PNG
(US9303045, 13 | US9695195, 13)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c(Cl)n(c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H21ClN2O4S/c1-20-11-7-8-12(20)10-13(9-11)25-18(22)16-14-5-3-4-6-15(14)21(17(16)19)26(2,23)24/h3-6,11-13H,7-10H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221556
PNG
(US9303045, 42 | US9695195, 42)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(C2CCOC2)c2ccccc12
Show InChI InChI=1S/C21H26N2O3/c1-22-14-6-7-15(22)11-17(10-14)26-21(24)19-12-23(16-8-9-25-13-16)20-5-3-2-4-18(19)20/h2-5,12,14-17H,6-11,13H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221643
PNG
(US9303045, 142 | US9695195, 142)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(CC#N)c2c(F)nccc12
Show InChI InChI=1S/C18H19FN4O3/c1-22-11-6-13(7-12(22)10-25-9-11)26-18(24)15-8-23(5-3-20)16-14(15)2-4-21-17(16)19/h2,4,8,11-13H,5-7,9-10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221582
PNG
(US9303045, 109 | US9303045, 68 | US9695195, 109)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncc(F)cc12
Show InChI InChI=1S/C18H21F3N4O2/c1-24-12-3-11(4-13(24)9-27-8-12)23-18(26)15-6-25(7-16(20)21)17-14(15)2-10(19)5-22-17/h2,5-6,11-13,16H,3-4,7-9H2,1H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM88549
PNG
(US9695195, 29)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(C2CCOC2)c2ncc(F)cc12
Show InChI InChI=1S/C20H24FN3O3/c1-23-13-2-3-14(23)8-16(7-13)27-20(25)18-10-24(15-4-5-26-11-15)19-17(18)6-12(21)9-22-19/h6,9-10,13-16H,2-5,7-8,11H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221575
PNG
(US9303045, 61 | US9695195, 61)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ncccc12
Show InChI InChI=1S/C19H23F2N3O2/c1-23-12-4-2-5-13(23)9-14(8-12)26-19(25)16-10-24(11-17(20)21)18-15(16)6-3-7-22-18/h3,6-7,10,12-14,17H,2,4-5,8-9,11H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221617
PNG
(US9303045, 107 | US9303045, 122 | US9695195, 122)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ncccn2)c2ccccc12
Show InChI InChI=1S/C21H23N5O2/c1-25-15-9-14(10-16(25)13-28-12-15)24-20(27)18-11-26(21-22-7-4-8-23-21)19-6-3-2-5-17(18)19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,24,27)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM98795
PNG
(US9695195, 43)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1c(Cl)n(CC(F)F)c2ccccc12
Show InChI InChI=1S/C19H21ClF2N2O3/c1-23-11-6-13(7-12(23)10-26-9-11)27-19(25)17-14-4-2-3-5-15(14)24(18(17)20)8-16(21)22/h2-5,11-13,16H,6-10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221519
PNG
(US9303045, 3 | US9695195, 3)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c(C)n(c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C19H24N2O4S/c1-12-18(16-6-4-5-7-17(16)21(12)26(3,23)24)19(22)25-15-10-13-8-9-14(11-15)20(13)2/h4-7,13-15H,8-11H2,1-3H3
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n/an/a 1.03n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221593
PNG
(US9303045, 80 | US9695195, 80)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(c2ncccc12)C(F)(F)C(F)F
Show InChI InChI=1S/C18H20F4N4O2/c1-25-11-5-10(6-12(25)9-28-8-11)24-16(27)14-7-26(18(21,22)17(19)20)15-13(14)3-2-4-23-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,24,27)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221667
PNG
(US9303045, 178 | US9695195, 178)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ncco2)c2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-23-14-8-13(9-15(23)12-26-11-14)22-19(25)17-10-24(20-21-6-7-27-20)18-5-3-2-4-16(17)18/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,22,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221596
PNG
(US9303045, 83 | US9695195, 83)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn([C@@H]2CCOC2)c2ccccc12
Show InChI InChI=1S/C21H26N2O3/c1-22-14-6-7-15(22)11-17(10-14)26-21(24)19-12-23(16-8-9-25-13-16)20-5-3-2-4-18(19)20/h2-5,12,14-17H,6-11,13H2,1H3/t14?,15?,16-,17?/m1/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221598
PNG
(US9303045, 85 | US9695195, 85)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c2OCCCn2c2ccccc12
Show InChI InChI=1S/C20H24N2O3/c1-21-13-7-8-14(21)12-15(11-13)25-20(23)18-16-5-2-3-6-17(16)22-9-4-10-24-19(18)22/h2-3,5-6,13-15H,4,7-12H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221538
PNG
(US9303045, 24 | US9303045, 52 | US9695195, 52)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ncc(F)cc12
Show InChI InChI=1S/C18H20F4N4O2/c1-25-12-3-11(4-13(25)8-28-7-12)24-17(27)15-6-26(9-18(20,21)22)16-14(15)2-10(19)5-23-16/h2,5-6,11-13H,3-4,7-9H2,1H3,(H,24,27)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221618
PNG
(US9303045, 108 | US9695195, 108)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(C)(F)F)c2ncccc12
Show InChI InChI=1S/C19H24F2N4O2/c1-19(20,21)11-25-8-16(15-4-3-5-22-17(15)25)18(26)23-12-6-13-9-27-10-14(7-12)24(13)2/h3-5,8,12-14H,6-7,9-11H2,1-2H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM98842
PNG
(US9695195, 53)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(c2ncc(F)cc12)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C18H18F6N4O2/c1-27-11-3-10(4-12(27)8-30-7-11)26-16(29)14-6-28(18(23,24)17(20,21)22)15-13(14)2-9(19)5-25-15/h2,5-6,10-12H,3-4,7-8H2,1H3,(H,26,29)
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US Patent
n/an/a 1.05n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221538
PNG
(US9303045, 24 | US9303045, 52 | US9695195, 52)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ncc(F)cc12
Show InChI InChI=1S/C18H20F4N4O2/c1-25-12-3-11(4-13(25)8-28-7-12)24-17(27)15-6-26(9-18(20,21)22)16-14(15)2-10(19)5-23-16/h2,5-6,11-13H,3-4,7-9H2,1H3,(H,24,27)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221583
PNG
(US9303045, 69 | US9695195, 69)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(c2ncccc12)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2/c1-19(2,20(21,22)23)27-9-16(15-5-4-6-24-17(15)27)18(28)25-12-7-13-10-29-11-14(8-12)26(13)3/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,25,28)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221580
PNG
(US9303045, 66 | US9695195, 66)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1nn(CC(F)F)c2ncccc12
Show InChI InChI=1S/C17H21F2N5O2/c1-23-11-5-10(6-12(23)9-26-8-11)21-17(25)15-13-3-2-4-20-16(13)24(22-15)7-14(18)19/h2-4,10-12,14H,5-9H2,1H3,(H,21,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221542
PNG
(US9303045, 28 | US9695195, 28)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c2OCCn2c2ccccc12
Show InChI InChI=1S/C19H22N2O3/c1-20-12-6-7-13(20)11-14(10-12)24-19(22)17-15-4-2-3-5-16(15)21-8-9-23-18(17)21/h2-5,12-14H,6-11H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221617
PNG
(US9303045, 107 | US9303045, 122 | US9695195, 122)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ncccn2)c2ccccc12
Show InChI InChI=1S/C21H23N5O2/c1-25-15-9-14(10-16(25)13-28-12-15)24-20(27)18-11-26(21-22-7-4-8-23-21)19-6-3-2-5-17(18)19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,24,27)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221669
PNG
(US9303045, 181 | US9695195, 181)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cnccn2)c2ccccc12
Show InChI InChI=1S/C21H22N4O3/c1-24-14-8-16(9-15(24)13-27-12-14)28-21(26)18-11-25(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221582
PNG
(US9303045, 109 | US9303045, 68 | US9695195, 109)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncc(F)cc12
Show InChI InChI=1S/C18H21F3N4O2/c1-24-12-3-11(4-13(24)9-27-8-12)23-18(26)15-6-25(7-16(20)21)17-14(15)2-10(19)5-22-17/h2,5-6,11-13,16H,3-4,7-9H2,1H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221663
PNG
(US9303045, 171 | US9695195, 171)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccccc2C#N)c2ccccc12
Show InChI InChI=1S/C23H21N3O3/c24-11-15-5-1-3-7-21(15)26-12-20(19-6-2-4-8-22(19)26)23(27)29-18-9-16-13-28-14-17(10-18)25-16/h1-8,12,16-18,25H,9-10,13-14H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221642
PNG
(US9303045, 141 | US9695195, 141)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2cnccn2)c2ccccc12
Show InChI InChI=1S/C20H20N4O3/c25-20(27-15-7-13-11-26-12-14(8-15)23-13)17-10-24(19-9-21-5-6-22-19)18-4-2-1-3-16(17)18/h1-6,9-10,13-15,23H,7-8,11-12H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221584
PNG
(US9303045, 70 | US9695195, 70)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn([C@H](F)C(F)(F)F)c2ncccc12
Show InChI InChI=1S/C18H20F4N4O2/c1-25-11-5-10(6-12(25)9-28-8-11)24-16(27)14-7-26(17(19)18(20,21)22)15-13(14)3-2-4-23-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,24,27)/t10?,11?,12?,17-/m0/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221537
PNG
(US9303045, 22 | US9695195, 22)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn([C@@H](F)C(F)(F)F)c2ncccc12
Show InChI InChI=1S/C18H20F4N4O2/c1-25-11-5-10(6-12(25)9-28-8-11)24-16(27)14-7-26(17(19)18(20,21)22)15-13(14)3-2-4-23-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,24,27)/t10?,11?,12?,17-/m1/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221661
PNG
(US9303045, 168 | US9695195, 168)
Show SMILES Cn1ccc(cc1=O)-n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C22H23N3O4/c1-24-7-6-16(10-21(24)26)25-11-19(18-4-2-3-5-20(18)25)22(27)29-17-8-14-12-28-13-15(9-17)23-14/h2-7,10-11,14-15,17,23H,8-9,12-13H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221675
PNG
(US9303045, 187 | US9695195, 187)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(CC#N)c2ccccc12
Show InChI InChI=1S/C18H19N3O3/c19-5-6-21-9-16(15-3-1-2-4-17(15)21)18(22)24-14-7-12-10-23-11-13(8-14)20-12/h1-4,9,12-14,20H,6-8,10-11H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221659
PNG
(US9303045, 164 | US9695195, 164)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ncc(F)cc12
Show InChI InChI=1S/C19H20FN5O2S/c1-24-13-3-12(4-14(24)9-27-8-13)23-19(26)16-7-25(17-6-21-10-28-17)18-15(16)2-11(20)5-22-18/h2,5-7,10,12-14H,3-4,8-9H2,1H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221589
PNG
(US9303045, 76 | US9695195, 76)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncccc12
Show InChI InChI=1S/C18H22F2N4O/c1-23-12-4-5-13(23)8-11(7-12)22-18(25)15-9-24(10-16(19)20)17-14(15)3-2-6-21-17/h2-3,6,9,11-13,16H,4-5,7-8,10H2,1H3,(H,22,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221672
PNG
(US9303045, 184 | US9695195, 184)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cnc(F)cn2)c2ccccc12
Show InChI InChI=1S/C21H21FN4O3/c1-25-13-6-15(7-14(25)12-28-11-13)29-21(27)17-10-26(18-5-3-2-4-16(17)18)20-9-23-19(22)8-24-20/h2-5,8-10,13-15H,6-7,11-12H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221652
PNG
(US9303045, 155 | US9695195, 155)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccns2)c2ccccc12
Show InChI InChI=1S/C19H19N3O3S/c23-19(25-14-7-12-10-24-11-13(8-14)21-12)16-9-22(18-5-6-20-26-18)17-4-2-1-3-15(16)17/h1-6,9,12-14,21H,7-8,10-11H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221671
PNG
(US9303045, 183 | US9695195, 183)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cncs2)c2ccccc12
Show InChI InChI=1S/C20H21N3O3S/c1-22-13-6-15(7-14(22)11-25-10-13)26-20(24)17-9-23(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM88557
PNG
(US9695195, 31)
Show SMILES FC(F)Cn1cc(C(=O)OC2CC3COCC(C2)N3)c2cc(F)ccc12
Show InChI InChI=1S/C18H19F3N2O3/c19-10-1-2-16-14(3-10)15(6-23(16)7-17(20)21)18(24)26-13-4-11-8-25-9-12(5-13)22-11/h1-3,6,11-13,17,22H,4-5,7-9H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221521
PNG
(US9303045, 5 | US9695195, 5)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ncccc12
Show InChI InChI=1S/C18H21F3N4O2/c1-24-12-5-11(6-13(24)9-27-8-12)23-17(26)15-7-25(10-18(19,20)21)16-14(15)3-2-4-22-16/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221653
PNG
(US9303045, 158 | US9695195, 158)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccns2)c2ccccc12
Show InChI InChI=1S/C20H22N4O2S/c1-23-14-8-13(9-15(23)12-26-11-14)22-20(25)17-10-24(19-6-7-21-27-19)18-5-3-2-4-16(17)18/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,22,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221546
PNG
(US9303045, 32 | US9695195, 32)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C19H20F4N2O3/c1-24-12-5-14(6-13(24)9-27-8-12)28-18(26)16-7-25(10-19(21,22)23)17-3-2-11(20)4-15(16)17/h2-4,7,12-14H,5-6,8-10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221605
PNG
(US9303045, 93 | US9695195, 93)
Show SMILES CC(C)S(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3C)c2cc(F)ccc12
Show InChI InChI=1S/C20H26FN3O4S/c1-12(2)29(26,27)24-9-18(17-6-13(21)4-5-19(17)24)20(25)22-14-7-15-10-28-11-16(8-14)23(15)3/h4-6,9,12,14-16H,7-8,10-11H2,1-3H3,(H,22,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221520
PNG
(US9303045, 4 | US9695195, 4)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1nn(c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H23N3O4S/c1-20-12-6-5-7-13(20)11-14(10-12)25-18(22)17-15-8-3-4-9-16(15)21(19-17)26(2,23)24/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221578
PNG
(US9303045, 64 | US9695195, 64)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncccc12
Show InChI InChI=1S/C18H22F2N4O2/c1-23-12-5-11(6-13(23)10-26-9-12)22-18(25)15-7-24(8-16(19)20)17-14(15)3-2-4-21-17/h2-4,7,11-13,16H,5-6,8-10H2,1H3,(H,22,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221594
PNG
(US9303045, 81 | US9695195, 81)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(C(F)C(F)(F)F)c2ncccc12
Show InChI InChI=1S/C18H20F4N4O2/c1-25-11-5-10(6-12(25)9-28-8-11)24-16(27)14-7-26(17(19)18(20,21)22)15-13(14)3-2-4-23-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,24,27)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221608
PNG
(US9303045, 97 | US9695195, 97)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn([C@H]2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C21H25FN2O3/c1-23-14-3-4-15(23)10-17(9-14)27-21(25)19-11-24(16-6-7-26-12-16)20-5-2-13(22)8-18(19)20/h2,5,8,11,14-17H,3-4,6-7,9-10,12H2,1H3/t14?,15?,16-,17?/m0/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221637
PNG
(US9303045, 133 | US9695195, 133)
Show SMILES CCS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C18H22N2O5S/c1-2-26(22,23)20-9-16(15-5-3-4-6-17(15)20)18(21)25-14-7-12-10-24-11-13(8-14)19-12/h3-6,9,12-14,19H,2,7-8,10-11H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221674
PNG
(US9303045, 186 | US9695195, 186)
Show SMILES CN(C1CC2COCC(C1)N2C)C(=O)c1cn(-c2cnsc2)c2ccccc12
Show InChI InChI=1S/C21H24N4O2S/c1-23-15-7-14(8-16(23)12-27-11-15)24(2)21(26)19-10-25(17-9-22-28-13-17)20-6-4-3-5-18(19)20/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM111059
PNG
(US9695195, 165)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1nn(-c2cncs2)c2ccc(F)cc12
Show InChI InChI=1S/C19H20FN5O2S/c1-24-13-5-12(6-14(24)9-27-8-13)22-19(26)18-15-4-11(20)2-3-16(15)25(23-18)17-7-21-10-28-17/h2-4,7,10,12-14H,5-6,8-9H2,1H3,(H,22,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221670
PNG
(US9303045, 182 | US9695195, 182)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccsn2)c2ccccc12
Show InChI InChI=1S/C20H21N3O3S/c1-22-13-8-15(9-14(22)12-25-11-13)26-20(24)17-10-23(19-6-7-27-21-19)18-5-3-2-4-16(17)18/h2-7,10,13-15H,8-9,11-12H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221597
PNG
(US9303045, 84 | US9695195, 84)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c2OCCCCn2c2ccccc12
Show InChI InChI=1S/C21H26N2O3/c1-22-14-8-9-15(22)13-16(12-14)26-21(24)19-17-6-2-3-7-18(17)23-10-4-5-11-25-20(19)23/h2-3,6-7,14-16H,4-5,8-13H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221518
PNG
(US9303045, 2 | US9695195, 2)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn([C@@H]2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C21H25FN2O3/c1-23-14-3-4-15(23)10-17(9-14)27-21(25)19-11-24(16-6-7-26-12-16)20-5-2-13(22)8-18(19)20/h2,5,8,11,14-17H,3-4,6-7,9-10,12H2,1H3/t14?,15?,16-,17?/m1/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221676
PNG
(US9303045, 188 | US9695195, 188)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ncccn2)c2ccccc12
Show InChI InChI=1S/C21H22N4O3/c1-24-14-9-16(10-15(24)13-27-12-14)28-20(26)18-11-25(21-22-7-4-8-23-21)19-6-3-2-5-17(18)19/h2-8,11,14-16H,9-10,12-13H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221525
PNG
(US9303045, 131 | US9303045, 9 | US9695195, 131)
Show SMILES CC(C)S(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C19H24N2O5S/c1-12(2)27(23,24)21-9-17(16-5-3-4-6-18(16)21)19(22)26-15-7-13-10-25-11-14(8-15)20-13/h3-6,9,12-15,20H,7-8,10-11H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221657
PNG
(US9303045, 162 | US9695195, 162)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2nccs2)c2ncc(F)cc12
Show InChI InChI=1S/C19H20FN5O2S/c1-24-13-5-12(6-14(24)10-27-9-13)23-18(26)16-8-25(19-21-2-3-28-19)17-15(16)4-11(20)7-22-17/h2-4,7-8,12-14H,5-6,9-10H2,1H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221658
PNG
(US9303045, 163 | US9695195, 163)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cscn2)c2ncc(F)cc12
Show InChI InChI=1S/C19H20FN5O2S/c1-24-13-3-12(4-14(24)8-27-7-13)23-19(26)16-6-25(17-9-28-10-22-17)18-15(16)2-11(20)5-21-18/h2,5-6,9-10,12-14H,3-4,7-8H2,1H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221563
PNG
(US9303045, 49 | US9695195, 49)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ncccc12
Show InChI InChI=1S/C18H20F3N3O3/c1-23-11-5-13(6-12(23)9-26-8-11)27-17(25)15-7-24(10-18(19,20)21)16-14(15)3-2-4-22-16/h2-4,7,11-13H,5-6,8-10H2,1H3
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n/an/a 1.82n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221552
PNG
(US9303045, 38 | US9695195, 38)
Show SMILES FC(F)(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2cccnc12
Show InChI InChI=1S/C17H19F3N4O2/c18-17(19,20)9-24-6-14(13-2-1-3-21-15(13)24)16(25)23-10-4-11-7-26-8-12(5-10)22-11/h1-3,6,10-12,22H,4-5,7-9H2,(H,23,25)
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n/an/a 1.82n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221558
PNG
(US9303045, 44 | US9695195, 44)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c(Cl)n(CC(F)(F)F)c2ccccc12
Show InChI InChI=1S/C19H20ClF3N2O2/c1-24-11-6-7-12(24)9-13(8-11)27-18(26)16-14-4-2-3-5-15(14)25(17(16)20)10-19(21,22)23/h2-5,11-13H,6-10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221525
PNG
(US9303045, 131 | US9303045, 9 | US9695195, 131)
Show SMILES CC(C)S(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C19H24N2O5S/c1-12(2)27(23,24)21-9-17(16-5-3-4-6-18(16)21)19(22)26-15-7-13-10-25-11-14(8-15)20-13/h3-6,9,12-15,20H,7-8,10-11H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221638
PNG
(US9303045, 134 | US9695195, 134)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(c2ccccc12)S(=O)(=O)C1CC1
Show InChI InChI=1S/C19H22N2O5S/c22-19(26-14-7-12-10-25-11-13(8-14)20-12)17-9-21(27(23,24)15-5-6-15)18-4-2-1-3-16(17)18/h1-4,9,12-15,20H,5-8,10-11H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221665
PNG
(US9303045, 174 | US9695195, 174)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c1-25-18-11-16(12-19(25)15-28-14-18)24-23(27)21-13-26(17-7-3-2-4-8-17)22-10-6-5-9-20(21)22/h2-10,13,16,18-19H,11-12,14-15H2,1H3,(H,24,27)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221517
PNG
(US9303045, 1 | US9695195, 1)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C19H20F4N2O2/c1-24-12-3-4-13(24)8-14(7-12)27-18(26)16-9-25(10-19(21,22)23)17-5-2-11(20)6-15(16)17/h2,5-6,9,12-14H,3-4,7-8,10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221632
PNG
(US9303045, 128 | US9695195, 128)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2nccs2)c2ccccc12
Show InChI InChI=1S/C19H19N3O3S/c23-18(25-14-7-12-10-24-11-13(8-14)21-12)16-9-22(19-20-5-6-26-19)17-4-2-1-3-15(16)17/h1-6,9,12-14,21H,7-8,10-11H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221636
PNG
(US9303045, 132 | US9695195, 132)
Show SMILES CS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C17H20N2O5S/c1-25(21,22)19-8-15(14-4-2-3-5-16(14)19)17(20)24-13-6-11-9-23-10-12(7-13)18-11/h2-5,8,11-13,18H,6-7,9-10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221522
PNG
(US9303045, 6 | US9695195, 6)
Show SMILES Fc1ccc2n(CC(F)(F)F)cc(C(=O)NC3CC4COCC(C3)N4)c2c1
Show InChI InChI=1S/C18H19F4N3O2/c19-10-1-2-16-14(3-10)15(6-25(16)9-18(20,21)22)17(26)24-11-4-12-7-27-8-13(5-11)23-12/h1-3,6,11-13,23H,4-5,7-9H2,(H,24,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221573
PNG
(US9303045, 59 | US9695195, 59)
Show SMILES Fc1ccc2n(CC(F)(F)F)cc(C(=O)OC3CC4COCC(C3)N4)c2c1
Show InChI InChI=1S/C18H18F4N2O3/c19-10-1-2-16-14(3-10)15(6-24(16)9-18(20,21)22)17(25)27-13-4-11-7-26-8-12(5-13)23-11/h1-3,6,11-13,23H,4-5,7-9H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221599
PNG
(US9303045, 86 | US9695195, 86)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C18H21FN2O4S/c1-20-12-4-5-13(20)9-14(8-12)25-18(22)16-10-21(26(2,23)24)17-6-3-11(19)7-15(16)17/h3,6-7,10,12-14H,4-5,8-9H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221646
PNG
(US9303045, 145 | US9695195, 145)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccsn2)c2ccccc12
Show InChI InChI=1S/C19H19N3O3S/c23-19(25-14-7-12-10-24-11-13(8-14)20-12)16-9-22(18-5-6-26-21-18)17-4-2-1-3-15(16)17/h1-6,9,12-14,20H,7-8,10-11H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221664
PNG
(US9303045, 172 | US9695195, 172)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2cccc(c2)C#N)c2ccccc12
Show InChI InChI=1S/C23H21N3O3/c24-11-15-4-3-5-18(8-15)26-12-21(20-6-1-2-7-22(20)26)23(27)29-19-9-16-13-28-14-17(10-19)25-16/h1-8,12,16-17,19,25H,9-10,13-14H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221673
PNG
(US9303045, 185 | US9695195, 185)
Show SMILES CN(C1CC2COCC(C1)N2)C(=O)c1cn(-c2cnsc2)c2ccccc12
Show InChI InChI=1S/C20H22N4O2S/c1-23(15-6-13-10-26-11-14(7-15)22-13)20(25)18-9-24(16-8-21-27-12-16)19-5-3-2-4-17(18)19/h2-5,8-9,12-15,22H,6-7,10-11H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221559
PNG
(US9303045, 45 | US9695195, 45)
Show SMILES FC(F)Cn1cc(C(=O)OC2CC3CCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C18H20F2N2O2/c19-17(20)10-22-9-15(14-3-1-2-4-16(14)22)18(23)24-13-7-11-5-6-12(8-13)21-11/h1-4,9,11-13,17,21H,5-8,10H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221588
PNG
(US9303045, 75 | US9695195, 75)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C19H22F3N3O/c1-24-13-3-4-14(24)8-12(7-13)23-19(26)16-9-25(10-18(21)22)17-5-2-11(20)6-15(16)17/h2,5-6,9,12-14,18H,3-4,7-8,10H2,1H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221586
PNG
(US9303045, 73 | US9695195, 73)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c(C)n(CC(F)F)c2ccccc12
Show InChI InChI=1S/C20H24F2N2O2/c1-12-19(16-5-3-4-6-17(16)24(12)11-18(21)22)20(25)26-15-9-13-7-8-14(10-15)23(13)2/h3-6,13-15,18H,7-11H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221666
PNG
(US9303045, 177 | US9695195, 177)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2ncco2)c2ccccc12
Show InChI InChI=1S/C19H19N3O4/c23-18(26-14-7-12-10-24-11-13(8-14)21-12)16-9-22(19-20-5-6-25-19)17-4-2-1-3-15(16)17/h1-6,9,12-14,21H,7-8,10-11H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221531
PNG
(US9303045, 16 | US9695195, 16)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1nn(CCF)c2ccccc12
Show InChI InChI=1S/C19H24FN3O2/c1-22-13-5-4-6-14(22)12-15(11-13)25-19(24)18-16-7-2-3-8-17(16)23(21-18)10-9-20/h2-3,7-8,13-15H,4-6,9-12H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221585
PNG
(US9303045, 72 | US9695195, 72)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ncccc12
Show InChI InChI=1S/C18H21F2N3O2/c1-22-11-4-5-12(22)8-13(7-11)25-18(24)15-9-23(10-16(19)20)17-14(15)3-2-6-21-17/h2-3,6,9,11-13,16H,4-5,7-8,10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221529
PNG
(US9303045, 14 | US9695195, 14)
Show SMILES FC(F)(F)Cn1cc(C(=O)OC2CC3CCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C18H19F3N2O2/c19-18(20,21)10-23-9-15(14-3-1-2-4-16(14)23)17(24)25-13-7-11-5-6-12(8-13)22-11/h1-4,9,11-13,22H,5-8,10H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221539
PNG
(US9303045, 25 | US9695195, 25)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2ncccn2)c2ccccc12
Show InChI InChI=1S/C20H20N4O3/c25-19(27-15-8-13-11-26-12-14(9-15)23-13)17-10-24(20-21-6-3-7-22-20)18-5-2-1-4-16(17)18/h1-7,10,13-15,23H,8-9,11-12H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221533
PNG
(US9303045, 18 | US9695195, 18)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C18H22FN3O3S/c1-21-13-4-5-14(21)9-12(8-13)20-18(23)16-10-22(26(2,24)25)17-6-3-11(19)7-15(16)17/h3,6-7,10,12-14H,4-5,8-9H2,1-2H3,(H,20,23)
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n/an/a 4.06n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221579
PNG
(US9303045, 65 | US9695195, 65)
Show SMILES FC(F)Cn1nc(C(=O)NC2CC3COCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C17H20F2N4O2/c18-15(19)7-23-14-4-2-1-3-13(14)16(22-23)17(24)21-10-5-11-8-25-9-12(6-10)20-11/h1-4,10-12,15,20H,5-9H2,(H,21,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221532
PNG
(US9303045, 17 | US9695195, 17)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1nn(CC(F)(F)F)c2ccccc12
Show InChI InChI=1S/C18H20F3N3O2/c1-23-11-6-7-12(23)9-13(8-11)26-17(25)16-14-4-2-3-5-15(14)24(22-16)10-18(19,20)21/h2-5,11-13H,6-10H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221591
PNG
(US9303045, 78 | US9695195, 78)
Show SMILES CS(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3)c2cc(F)ccc12
Show InChI InChI=1S/C17H20FN3O4S/c1-26(23,24)21-7-15(14-4-10(18)2-3-16(14)21)17(22)20-11-5-12-8-25-9-13(6-11)19-12/h2-4,7,11-13,19H,5-6,8-9H2,1H3,(H,20,22)
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n/an/a 4.81n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221609
PNG
(US9303045, 98 | US9695195, 98)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C20H24F3N3O/c1-25-14-3-2-4-15(25)9-13(8-14)24-20(27)17-10-26(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,(H,24,27)
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n/an/a 5.45n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221555
PNG
(US9303045, 41 | US9695195, 41)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ncccc12
Show InChI InChI=1S/C18H20F3N3O2/c1-23-11-4-5-12(23)8-13(7-11)26-17(25)15-9-24(10-18(19,20)21)16-14(15)3-2-6-22-16/h2-3,6,9,11-13H,4-5,7-8,10H2,1H3
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n/an/a 5.56n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221568
PNG
(US9303045, 54 | US9695195, 54)
Show SMILES CC(C)S(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2cc(F)ccc12
Show InChI InChI=1S/C19H23FN2O5S/c1-11(2)28(24,25)22-8-17(16-5-12(20)3-4-18(16)22)19(23)27-15-6-13-9-26-10-14(7-15)21-13/h3-5,8,11,13-15,21H,6-7,9-10H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221668
PNG
(US9303045, 180 | US9695195, 180)
Show SMILES O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccc(cc2)C#N)c2ccccc12
Show InChI InChI=1S/C23H21N3O3/c24-11-15-5-7-18(8-6-15)26-12-21(20-3-1-2-4-22(20)26)23(27)29-19-9-16-13-28-14-17(10-19)25-16/h1-8,12,16-17,19,25H,9-10,13-14H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221534
PNG
(US9303045, 19 | US9695195, 19)
Show SMILES CS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2cc(F)ccc12
Show InChI InChI=1S/C17H19FN2O5S/c1-26(22,23)20-7-15(14-4-10(18)2-3-16(14)20)17(21)25-13-5-11-8-24-9-12(6-13)19-11/h2-4,7,11-13,19H,5-6,8-9H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221614
PNG
(US9303045, 103 | US9695195, 103)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ncccc12
Show InChI InChI=1S/C19H22F3N3O2/c1-24-12-4-2-5-13(24)9-14(8-12)27-18(26)16-10-25(11-19(20,21)22)17-15(16)6-3-7-23-17/h3,6-7,10,12-14H,2,4-5,8-9,11H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221590
PNG
(US9303045, 77 | US9695195, 77)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncccc12
Show InChI InChI=1S/C19H24F2N4O/c1-24-13-4-2-5-14(24)9-12(8-13)23-19(26)16-10-25(11-17(20)21)18-15(16)6-3-7-22-18/h3,6-7,10,12-14,17H,2,4-5,8-9,11H2,1H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221639
PNG
(US9303045, 135 | US9695195, 135)
Show SMILES CC(C)CS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C20H26N2O5S/c1-13(2)12-28(24,25)22-9-18(17-5-3-4-6-19(17)22)20(23)27-16-7-14-10-26-11-15(8-16)21-14/h3-6,9,13-16,21H,7-8,10-12H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221564
PNG
(US9303045, 50 | US9695195, 50)
Show SMILES FCCN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C20H21F5N2O3/c21-3-4-27-13-6-15(7-14(27)10-29-9-13)30-19(28)17-8-26(11-20(23,24)25)18-2-1-12(22)5-16(17)18/h1-2,5,8,13-15H,3-4,6-7,9-11H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM143687
PNG
(BDBM221611 | US9695195, 100)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C19H24FN3O3S/c1-22-14-4-3-5-15(22)10-13(9-14)21-19(24)17-11-23(27(2,25)26)18-7-6-12(20)8-16(17)18/h6-8,11,13-15H,3-5,9-10H2,1-2H3,(H,21,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221547
PNG
(US9303045, 33 | US9695195, 33)
Show SMILES FCCN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C20H22F4N2O3/c21-3-4-26-13-6-15(7-14(26)11-28-10-13)29-20(27)17-8-25(9-19(23)24)18-2-1-12(22)5-16(17)18/h1-2,5,8,13-15,19H,3-4,6-7,9-11H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221553
PNG
(US9303045, 39 | US9695195, 39)
Show SMILES FC(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2cc(F)cnc12
Show InChI InChI=1S/C17H19F3N4O2/c18-9-1-13-14(5-24(6-15(19)20)16(13)21-4-9)17(25)23-10-2-11-7-26-8-12(3-10)22-11/h1,4-5,10-12,15,22H,2-3,6-8H2,(H,23,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221616
PNG
(US9303045, 105 | US9695195, 105)
Show SMILES Fc1cnc2n(CC(F)(F)F)cc(C(=O)NC3CC4COCC(C3)N4)c2c1
Show InChI InChI=1S/C17H18F4N4O2/c18-9-1-13-14(5-25(8-17(19,20)21)15(13)22-4-9)16(26)24-10-2-11-6-27-7-12(3-10)23-11/h1,4-5,10-12,23H,2-3,6-8H2,(H,24,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221571
PNG
(US9303045, 57 | US9695195, 57)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1nn(CCF)c2ccccc12
Show InChI InChI=1S/C18H22FN3O2/c1-21-12-6-7-13(21)11-14(10-12)24-18(23)17-15-4-2-3-5-16(15)22(20-17)9-8-19/h2-5,12-14H,6-11H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221581
PNG
(US9303045, 67 | US9695195, 67)
Show SMILES FC(F)Cn1cc(C(=O)N[C@H]2CN3CCC2CC3)c2cccnc12
Show InChI InChI=1S/C17H20F2N4O/c18-15(19)10-23-8-13(12-2-1-5-20-16(12)23)17(24)21-14-9-22-6-3-11(14)4-7-22/h1-2,5,8,11,14-15H,3-4,6-7,9-10H2,(H,21,24)/t14-/m0/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221612
PNG
(US9303045, 101 | US9695195, 101)
Show SMILES FC(F)Cn1cc(C(=O)OC2CC3COCC(C2)N3)c2cccnc12
Show InChI InChI=1S/C17H19F2N3O3/c18-15(19)7-22-6-14(13-2-1-3-20-16(13)22)17(23)25-12-4-10-8-24-9-11(5-12)21-10/h1-3,6,10-12,15,21H,4-5,7-9H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221604
PNG
(US9303045, 91 | US9695195, 91)
Show SMILES FC(F)Cn1cc(C(=O)OC2CCN3CCOC2C3)c2cc(F)ccc12
Show InChI InChI=1S/C18H19F3N2O3/c19-11-1-2-14-12(7-11)13(8-23(14)10-17(20)21)18(24)26-15-3-4-22-5-6-25-16(15)9-22/h1-2,7-8,15-17H,3-6,9-10H2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221656
PNG
(US9303045, 161 | US9695195, 161)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccc(F)nn2)c2ccc(cc12)C#N
Show InChI InChI=1S/C22H20FN5O3/c1-27-14-7-16(8-15(27)12-30-11-14)31-22(29)18-10-28(21-5-4-20(23)25-26-21)19-3-2-13(9-24)6-17(18)19/h2-6,10,14-16H,7-8,11-12H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221595
PNG
(US9303045, 82 | US9695195, 82)
Show SMILES FC(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2cccnc12
Show InChI InChI=1S/C17H20F2N4O2/c18-15(19)7-23-6-14(13-2-1-3-20-16(13)23)17(24)22-10-4-11-8-25-9-12(5-10)21-11/h1-3,6,10-12,15,21H,4-5,7-9H2,(H,22,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221551
PNG
(US9303045, 37 | US9695195, 37)
Show SMILES CS(=O)(=O)n1cc(C(=O)OC23CCN(CC2)CC3)c2cc(F)ccc12
Show InChI InChI=1S/C17H19FN2O4S/c1-25(22,23)20-11-14(13-10-12(18)2-3-15(13)20)16(21)24-17-4-7-19(8-5-17)9-6-17/h2-3,10-11H,4-9H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221613
PNG
(US9303045, 102 | US9695195, 102)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cn(CC(F)(F)F)c2ncccc12
Show InChI InChI=1S/C18H21F3N4O/c1-24-12-4-5-13(24)8-11(7-12)23-17(26)15-9-25(10-18(19,20)21)16-14(15)3-2-6-22-16/h2-3,6,9,11-13H,4-5,7-8,10H2,1H3,(H,23,26)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221623
PNG
(US9303045, 116 | US9695195, 116)
Show SMILES FC(F)Cn1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2cccnc12
Show InChI InChI=1S/C17H20F2N4O/c18-15(19)10-23-8-13(12-2-1-5-20-16(12)23)17(24)21-14-9-22-6-3-11(14)4-7-22/h1-2,5,8,11,14-15H,3-4,6-7,9-10H2,(H,21,24)/t14-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM221615
PNG
(US9303045, 104 | US9695195, 104)
Show SMILES FC(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C18H19F5N4O2/c19-15(20)7-26-6-14(13-2-1-3-24-16(13)26)17(28)25-10-4-11-8-29-9-12(5-10)27(11)18(21,22)23/h1-3,6,10-12,15H,4-5,7-9H2,(H,25,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%