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Compile Data Set for Download or QSAR

Found 1934 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A'   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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Article
PubMed
n/an/a 0.0900n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor expressed in xenopus oocytes assessed as inhibition of 5HT-induced effect by electrophysiological method


J Med Chem 54: 3206-21 (2011)


Article DOI: 10.1021/jm101459g
BindingDB Entry DOI: 10.7270/Q2W37XFC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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n/an/a 0.160n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT3A receptor


J Med Chem 54: 3206-21 (2011)


Article DOI: 10.1021/jm101459g
BindingDB Entry DOI: 10.7270/Q2W37XFC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(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/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50400902
PNG
(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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n/an/a 0.180n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT3A receptor


J Med Chem 54: 3206-21 (2011)


Article DOI: 10.1021/jm101459g
BindingDB Entry DOI: 10.7270/Q2W37XFC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(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/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
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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n/an/a 0.200n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
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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n/an/a 0.200n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221592
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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n/an/a 0.220n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221592
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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n/an/a 0.220n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221601
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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n/an/a 0.220n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
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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n/an/a 0.220n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221622
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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n/an/a 0.230n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221622
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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n/an/a 0.230n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221572
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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n/an/a 0.240n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221572
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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n/an/a 0.240n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221624
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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n/an/a 0.280n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221624
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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n/an/a 0.280n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221610
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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n/an/a 0.290n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221610
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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n/an/a 0.290n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221654
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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n/an/a 0.298n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221654
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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n/an/a 0.300n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221651
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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n/an/a 0.328n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221561
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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n/an/a 0.330n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221651
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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n/an/a 0.330n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221561
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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n/an/a 0.330n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221624
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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n/an/a 0.390n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
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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n/an/a 0.390n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221624
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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n/an/a 0.390n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221627
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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n/an/a 0.390n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
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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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221649
PNG
(US9303045, 148)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ncccc12
Show InChI InChI=1S/C19H21N5O2S/c1-23-13-5-12(6-14(23)10-26-9-13)22-19(25)16-8-24(17-7-20-11-27-17)18-15(16)3-2-4-21-18/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,22,25)
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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221535
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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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221626
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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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221626
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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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221622
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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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221679
PNG
(US9303045, 21)
Show SMILES FC(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2ccccc12
Show InChI InChI=1S/C18H21F2N3O2/c19-17(20)8-23-7-15(14-3-1-2-4-16(14)23)18(24)22-11-5-12-9-25-10-13(6-11)21-12/h1-4,7,11-13,17,21H,5-6,8-10H2,(H,22,24)
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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221626
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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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221648
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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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221535
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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n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221592
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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n/an/a 0.410n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221592
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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n/an/a 0.410n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221644
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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n/an/a 0.415n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221587
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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US Patent
n/an/a 0.420n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221644
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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US Patent
n/an/a 0.420n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221587
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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US Patent
n/an/a 0.420n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221574
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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US Patent
n/an/a 0.440n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221574
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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US Patent
n/an/a 0.440n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221527
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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US Patent
n/an/a 0.450n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221527
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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US Patent
n/an/a 0.450n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9695195 (2017)


BindingDB Entry DOI: 10.7270/Q28050RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM221677
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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US Patent
n/an/a 0.460n/an/an/an/an/a37



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair
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