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Patent code US9670229

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
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM199539
PNG
((1r,5s,7s)-9-methyl-3-oxa-9-azabicyclo [3.3.1]nona...)
Show SMILES CN1C2COCC1CC(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)
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n/an/a 0.462n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199092
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1]nonan- 7-yl 1-...)
Show SMILES CN1C2COCC1CC(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)
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n/an/a 0.510n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199498
PNG
(US9670229, 11 | n-((1r,5s,7s)-9-methyl-3-oxa-9-aza...)
Show SMILES CN1C2COCC1CC(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)
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199098
PNG
(US9670229, 5 | n-((1r,5s,7s)-9-methyl-3-oxa-9-azab...)
Show SMILES O=C(OC1CC2COCC(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
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199485
PNG
(US9670229, 10 | n-((1r,5s,7s)-9-methyl-3-oxa-9-aza...)
Show SMILES CN1C2COCC1CC(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)
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199522
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1]nonan- 7-yl 1-...)
Show SMILES Cn1nccc1-n1cc(C(=O)OC2CC3COCC(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
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199504
PNG
(5-fluoro-n-((1r,5s,7s)-9-methyl-3-oxa-9- azabicycl...)
Show SMILES CN1C2COCC1CC(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)
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n/an/a 0.662n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199484
PNG
((1r,5s,7s)-9-methyl-d3-3-oxa-9-azabicyclo [3.3.1]n...)
Show SMILES Cn1cc(cn1)-n1cc(C(=O)OC2CC3COCC(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
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199096
PNG
(US9670229, 4 | n-((1r,5s,7s)-9-methyl-3-oxa-9-azab...)
Show SMILES CN1C2COCC1CC(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)
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n/an/a 0.690n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199501
PNG
(5-fluoro-n-((1r,5s,7s)-9-methyl-3-oxa-9- azabicycl...)
Show SMILES CN1C2COCC1CC(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)
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n/an/a 0.720n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199541
PNG
((1r,5s,7s)-9-methyl-3-oxa-9-azabicyclo [3.3.1]nona...)
Show SMILES O=C(NC1CC2COCC(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)
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n/an/a 0.745n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199513
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1] nonan-7-yl 1-...)
Show SMILES CN1C2COCC1CC(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)
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199482
PNG
((1r,5s,7s)-9-methyl-d3-3-oxa-9-azabicyclo [3.3.1]n...)
Show SMILES CN1C2COCC1CC(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)
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199500
PNG
(US9670229, 12 | n-((1r,5s,7s)-9-methyl-3-oxa-9-aza...)
Show SMILES CN1C2COCC1CC(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)
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n/an/a 0.882n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199091
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1]nonan- 7-yl 1-...)
Show SMILES O=C(OC1CC2COCC(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
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199094
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1]nonan- 7-yl 1-...)
Show SMILES CN1C2COCC1CC(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)
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199524
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1]nonan- 7-yl 1-...)
Show SMILES CN1C2COCC1CC(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)
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199092
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1]nonan- 7-yl 1-...)
Show SMILES CN1C2COCC1CC(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)
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199521
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1] nonan-7-yl 1-...)
Show SMILES CN1C2COCC1CC(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)
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199518
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1] nonan-7-yl 1-...)
Show SMILES CN1C2COCC1CC(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
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Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199503
PNG
(5-fluoro-n-((1r,5s,7s)-9-methyl-3-oxa-9- azabicycl...)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1nn(-c2ccccn2)c2ncccc12
Show InChI InChI=1S/C20H22N6O2/c1-25-14-9-13(10-15(25)12-28-11-14)23-20(27)18-16-5-4-8-22-19(16)26(24-18)17-6-2-3-7-21-17/h2-8,13-15H,9-12H2,1H3,(H,23,27)
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n/an/a 1.34n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199544
PNG
(3-(3-(((1r,5s,7s)-9-methyl- 3-oxa-9-azabicyclo[3.3...)
Show SMILES CN1C2COCC1CC(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)
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n/an/a 1.36n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199527
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1]nonan- 7-yl 1-...)
Show SMILES CN1C2COCC1CC(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)
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n/an/a 1.39n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199533
PNG
((1r,5s,7s)-9-methyl-3-oxa-9- azabicyclo[3.3.1]nona...)
Show SMILES O=C(NC1CC2COCC(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)
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n/an/a 1.44n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199520
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1] nonan-7-yl 1-...)
Show SMILES CN1C2COCC1CC(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)
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199518
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1] nonan-7-yl 1-...)
Show SMILES CN1C2COCC1CC(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
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n/an/a 2.01n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199538
PNG
((1r,5s,7s)-9-methyl-3-oxa-9- azabicyclo[3.3.1]nona...)
Show SMILES Cn1cc(cn1)-n1cc(C(=O)NC2CC3COCC(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)
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n/an/a 2.04n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199512
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1] nonan-7-yl 1-...)
Show SMILES Cn1ccc(n1)-n1cc(C(=O)OC2CC3COCC(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
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n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199110
PNG
((1r,5s,7s)-9-methyl-d3-3-oxa-9-azabicyclo [3.3.1]n...)
Show SMILES CN1C2COCC1CC(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
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n/an/a 2.86n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199519
PNG
((1r,5s,7s)-3-oxa-9-azabicyclo[3.3.1] nonan-7-yl 1-...)
Show SMILES CN1C2COCC1CC(C2)OC(=O)c1cn(-c2ccnc(c2)C#N)c2ccccc12
Show InChI InChI=1S/C23H22N4O3/c1-26-17-9-19(10-18(26)14-29-13-17)30-23(28)21-12-27(22-5-3-2-4-20(21)22)16-6-7-25-15(8-16)11-24/h2-8,12,17-19H,9-10,13-14H2,1H3
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n/an/a 3.68n/an/an/an/an/an/a



Takeda Pharmaceutical 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 ...


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


(Homo sapiens (Human))
BDBM199542
PNG
((1r,5s,7s)-9-methyl-3-oxa-9-azabicyclo [3.3.1]nona...)
Show SMILES CCN1C2COCC1CC(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)
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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 5-HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux ...


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