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Patent code US9346829

Compile Data Set for Download or QSAR
Found 31 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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233390
PNG
(US9346829, 29)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-23-13-6-16(7-14(23)12-26-11-13)27-20(25)18-10-24(15-8-21-22-9-15)19-5-3-2-4-17(18)19/h2-5,8-10,13-14,16H,6-7,11-12H2,1H3,(H,21,22)/t13-,14+,16-
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n/an/a 0.462n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233364
PNG
(US9346829, 2 | US9346829, 6)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2)c2ccccc12
Show InChI InChI=1S/C22H24N4O2/c1-25-17-9-15(10-18(25)14-28-13-17)24-22(27)20-12-26(16-5-4-8-23-11-16)21-7-3-2-6-19(20)21/h2-8,11-12,15,17-18H,9-10,13-14H2,1H3,(H,24,27)/t15-,17-,18+
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n/an/a 0.510n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233373
PNG
(US9346829, 11)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2)c2ncccc12
Show InChI InChI=1S/C21H23N5O2/c1-25-16-8-14(9-17(25)13-28-12-16)24-21(27)19-11-26(15-4-2-6-22-10-15)20-18(19)5-3-7-23-20/h2-7,10-11,14,16-17H,8-9,12-13H2,1H3,(H,24,27)/t14-,16-,17+
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n/an/a 0.600n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233367
PNG
(US9346829, 5)
Show SMILES O=C(O[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2cccnc2)c2ccccc12
Show InChI InChI=1S/C21H21N3O3/c25-21(27-17-8-14-12-26-13-15(9-17)23-14)19-11-24(16-4-3-7-22-10-16)20-6-2-1-5-18(19)20/h1-7,10-11,14-15,17,23H,8-9,12-13H2/t14-,15+,17-
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n/an/a 0.620n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233384
PNG
(US9346829, 22)
Show SMILES Cn1nccc1-n1cc(C(=O)O[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-23-19(6-7-21-23)24-10-17(16-4-2-3-5-18(16)24)20(25)27-15-8-13-11-26-12-14(9-15)22-13/h2-7,10,13-15,22H,8-9,11-12H2,1H3/t13-,14+,15-
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n/an/a 0.650n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233372
PNG
(US9346829, 10)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccccn2)c2ncccc12
Show InChI InChI=1S/C21H23N5O2/c1-25-15-9-14(10-16(25)13-28-12-15)24-21(27)18-11-26(19-6-2-3-7-22-19)20-17(18)5-4-8-23-20/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,24,27)/t14-,15-,16+
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n/an/a 0.650n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233377
PNG
(US9346829, 15)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnn(C)c2)c2ccccc12
Show InChI InChI=1S/C21H25N5O2/c1-24-10-17(9-22-24)26-11-19(18-5-3-4-6-20(18)26)21(27)23-14-7-15-12-28-13-16(8-14)25(15)2/h3-6,9-11,14-16H,7-8,12-13H2,1-2H3,(H,23,27)/t14-,15-,16+
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n/an/a 0.662n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233371
PNG
(US9346829, 9)
Show SMILES Cn1cc(cn1)-n1cc(C(=O)O[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-23-9-15(8-21-23)24-10-18(17-4-2-3-5-19(17)24)20(25)27-16-6-13-11-26-12-14(7-16)22-13/h2-5,8-10,13-14,16,22H,6-7,11-12H2,1H3/t13-,14+,16-
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n/an/a 0.680n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233366
PNG
(US9346829, 4)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccncc2)c2ccccc12
Show InChI InChI=1S/C22H24N4O2/c1-25-17-10-15(11-18(25)14-28-13-17)24-22(27)20-12-26(16-6-8-23-9-7-16)21-5-3-2-4-19(20)21/h2-9,12,15,17-18H,10-11,13-14H2,1H3,(H,24,27)/t15-,17-,18+
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n/an/a 0.690n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233375
PNG
(US9346829, 13)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2)c2ncc(F)cc12
Show InChI InChI=1S/C21H22FN5O2/c1-26-16-6-14(7-17(26)12-29-11-16)25-21(28)19-10-27(15-3-2-4-23-9-15)20-18(19)5-13(22)8-24-20/h2-5,8-10,14,16-17H,6-7,11-12H2,1H3,(H,25,28)/t14-,16-,17+
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n/an/a 0.720n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233391
PNG
(US9346829, 30)
Show SMILES O=C(N[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C19H21N5O2/c25-19(23-12-5-13-10-26-11-14(6-12)22-13)17-9-24(15-7-20-21-8-15)18-4-2-1-3-16(17)18/h1-4,7-9,12-14,22H,5-6,10-11H2,(H,20,21)(H,23,25)/t12-,13-,14+
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n/an/a 0.745n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233379
PNG
(US9346829, 17)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccn(C)n2)c2ccccc12
Show InChI InChI=1S/C21H25N5O2/c1-24-8-7-20(23-24)26-11-18(17-5-3-4-6-19(17)26)21(27)22-14-9-15-12-28-13-16(10-14)25(15)2/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,22,27)/t14-,15-,16+
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n/an/a 0.75n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233365
PNG
(US9346829, 3 | US9346829, 8)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccccn2)c2ccccc12
Show InChI InChI=1S/C22H24N4O2/c1-25-16-10-15(11-17(25)14-28-13-16)24-22(27)19-12-26(21-8-4-5-9-23-21)20-7-3-2-6-18(19)20/h2-9,12,15-17H,10-11,13-14H2,1H3,(H,24,27)/t15-,16-,17+
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n/an/a 0.810n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233374
PNG
(US9346829, 12)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccccn2)c2ncc(F)cc12
Show InChI InChI=1S/C21H22FN5O2/c1-26-15-7-14(8-16(26)12-29-11-15)25-21(28)18-10-27(19-4-2-3-5-23-19)20-17(18)6-13(22)9-24-20/h2-6,9-10,14-16H,7-8,11-12H2,1H3,(H,25,28)/t14-,15-,16+
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n/an/a 0.882n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233363
PNG
(US9346829, 1)
Show SMILES O=C(O[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2ccncc2)c2ccccc12
Show InChI InChI=1S/C21H21N3O3/c25-21(27-17-9-14-12-26-13-15(10-17)23-14)19-11-24(16-5-7-22-8-6-16)20-4-2-1-3-18(19)20/h1-8,11,14-15,17,23H,9-10,12-13H2/t14-,15+,17-
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n/an/a 0.950n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233365
PNG
(US9346829, 3 | US9346829, 8)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccccn2)c2ccccc12
Show InChI InChI=1S/C22H24N4O2/c1-25-16-10-15(11-17(25)14-28-13-16)24-22(27)19-12-26(21-8-4-5-9-23-21)20-7-3-2-6-18(19)20/h2-9,12,15-17H,10-11,13-14H2,1H3,(H,24,27)/t15-,16-,17+
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n/an/a 0.960n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233385
PNG
(US9346829, 23)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccnn2C)c2ccccc12
Show InChI InChI=1S/C21H25N5O2/c1-24-15-9-14(10-16(24)13-28-12-15)23-21(27)18-11-26(20-7-8-22-25(20)2)19-6-4-3-5-17(18)19/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,27)/t14-,15-,16+
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n/an/a 1.01n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233364
PNG
(US9346829, 2 | US9346829, 6)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2)c2ccccc12
Show InChI InChI=1S/C22H24N4O2/c1-25-17-9-15(10-18(25)14-28-13-17)24-22(27)20-12-26(16-5-4-8-23-11-16)21-7-3-2-6-19(20)21/h2-8,11-12,15,17-18H,9-10,13-14H2,1H3,(H,24,27)/t15-,17-,18+
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n/an/a 1.10n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233383
PNG
(US9346829, 21)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnccc2C)c2ccccc12
Show InChI InChI=1S/C23H26N4O2/c1-15-7-8-24-11-22(15)27-12-20(19-5-3-4-6-21(19)27)23(28)25-16-9-17-13-29-14-18(10-16)26(17)2/h3-8,11-12,16-18H,9-10,13-14H2,1-2H3,(H,25,28)/t16-,17-,18+
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n/an/a 1.10n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233387
PNG
(US9346829, 26)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2cnn(C)c2)c2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-23-10-16(9-22-23)25-11-19(18-5-3-4-6-20(18)25)21(26)28-17-7-14-12-27-13-15(8-17)24(14)2/h3-6,9-11,14-15,17H,7-8,12-13H2,1-2H3/t14-,15+,17-
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n/an/a 1.20n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233376
PNG
(US9346829, 14)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1nn(-c2ccccn2)c2ccccc12
Show InChI InChI=1S/C21H23N5O2/c1-25-15-10-14(11-16(25)13-28-12-15)23-21(27)20-17-6-2-3-7-18(17)26(24-20)19-8-4-5-9-22-19/h2-9,14-16H,10-13H2,1H3,(H,23,27)/t14-,15-,16+
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n/an/a 1.34n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233393
PNG
(US9346829, 32)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccc[n+]([O-])c2)c2ccccc12
Show InChI InChI=1S/C22H24N4O3/c1-24-17-9-15(10-18(24)14-29-13-17)23-22(27)20-12-26(16-5-4-8-25(28)11-16)21-7-3-2-6-19(20)21/h2-8,11-12,15,17-18H,9-10,13-14H2,1H3,(H,23,27)/t15-,17-,18+
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n/an/a 1.36n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233386
PNG
(US9346829, 25)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnn(c2)C(F)F)c2ccccc12
Show InChI InChI=1S/C21H23F2N5O2/c1-26-14-6-13(7-15(26)12-30-11-14)25-20(29)18-10-27(19-5-3-2-4-17(18)19)16-8-24-28(9-16)21(22)23/h2-5,8-10,13-15,21H,6-7,11-12H2,1H3,(H,25,29)/t13-,14-,15+
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n/an/a 1.39n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233388
PNG
(US9346829, 27)
Show SMILES O=C(N[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2cccnc2)c2ccccc12
Show InChI InChI=1S/C21H22N4O2/c26-21(24-14-8-15-12-27-13-16(9-14)23-15)19-11-25(17-4-3-7-22-10-17)20-6-2-1-5-18(19)20/h1-7,10-11,14-16,23H,8-9,12-13H2,(H,24,26)/t14-,15-,16+
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n/an/a 1.44n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233382
PNG
(US9346829, 20)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2C)c2ccccc12
Show InChI InChI=1S/C23H26N4O2/c1-15-21(8-5-9-24-15)27-12-20(19-6-3-4-7-22(19)27)23(28)25-16-10-17-13-29-14-18(11-16)26(17)2/h3-9,12,16-18H,10-11,13-14H2,1-2H3,(H,25,28)/t16-,17-,18+
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n/an/a 1.5n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233380
PNG
(US9346829, 18)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2cnn(CCF)c2)c2ccccc12
Show InChI InChI=1S/C22H25FN4O3/c1-25-15-8-18(9-16(25)14-29-13-15)30-22(28)20-12-27(21-5-3-2-4-19(20)21)17-10-24-26(11-17)7-6-23/h2-5,10-12,15-16,18H,6-9,13-14H2,1H3/t15-,16+,18-
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n/an/a 2.01n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233389
PNG
(US9346829, 28)
Show SMILES Cn1cc(cn1)-n1cc(C(=O)N[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12
Show InChI InChI=1S/C20H23N5O2/c1-24-9-16(8-21-24)25-10-18(17-4-2-3-5-19(17)25)20(26)23-13-6-14-11-27-12-15(7-13)22-14/h2-5,8-10,13-15,22H,6-7,11-12H2,1H3,(H,23,26)/t13-,14-,15+
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n/an/a 2.04n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233378
PNG
(US9346829, 16)
Show SMILES Cn1ccc(n1)-n1cc(C(=O)O[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-23-7-6-19(22-23)24-10-17(16-4-2-3-5-18(16)24)20(25)27-15-8-13-11-26-12-14(9-15)21-13/h2-7,10,13-15,21H,8-9,11-12H2,1H3/t13-,14+,15-
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n/an/a 2.5n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233369
PNG
(US9346829, 7)
Show SMILES CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2ccccn2)c2ccccc12
Show InChI InChI=1S/C22H23N3O3/c1-24-15-10-17(11-16(24)14-27-13-15)28-22(26)19-12-25(21-8-4-5-9-23-21)20-7-3-2-6-18(19)20/h2-9,12,15-17H,10-11,13-14H2,1H3/t15-,16+,17-
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n/an/a 2.86n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233381
PNG
(US9346829, 19)
Show SMILES O=C(O[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2ccnc(c2)C#N)c2ccccc12
Show InChI InChI=1S/C22H20N4O3/c23-10-14-7-17(5-6-24-14)26-11-20(19-3-1-2-4-21(19)26)22(27)29-18-8-15-12-28-13-16(9-18)25-15/h1-7,11,15-16,18,25H,8-9,12-13H2/t15-,16+,18-
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n/an/a 3.68n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM233392
PNG
(US9346829, 31)
Show SMILES CCN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnn(C)c2)c2ccccc12
Show InChI InChI=1S/C22H27N5O2/c1-3-26-16-8-15(9-17(26)14-29-13-16)24-22(28)20-12-27(18-10-23-25(2)11-18)21-7-5-4-6-19(20)21/h4-7,10-12,15-17H,3,8-9,13-14H2,1-2H3,(H,24,28)/t15-,16-,17+
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n/an/a>1.00E+3n/an/an/an/an/a37



Takeda Phamaceutical Company Limited

US Patent


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

US Patent US9346829 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BRB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%