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Patent code US9493432

Compile Data Set for Download or QSAR

Found 214 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
Orexin receptor 1


(Homo sapiens (Human))
BDBM256877
PNG
(US9493432, 1)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1Nc1cnc2ccccc2n1
Show InChI InChI=1S/C22H24N4O3/c1-28-18-11-6-12-19(29-2)21(18)22(27)26-17-10-5-9-16(17)25-20-13-23-14-7-3-4-8-15(14)24-20/h3-4,6-8,11-13,16-17H,5,9-10H2,1-2H3,(H,24,25)(H,26,27)/t16-,17+/m1/s1
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n/an/a 0.840n/an/an/an/an/an/a



Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256957
PNG
(US9493432, 83)
Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-c1nc(C)no1
Show InChI InChI=1S/C23H22FN5O2S/c1-13-25-21(31-28-13)15-6-3-4-7-16(15)22(30)29(2)19-9-5-8-17(19)26-23-27-18-11-10-14(24)12-20(18)32-23/h3-4,6-7,10-12,17,19H,5,8-9H2,1-2H3,(H,26,27)/t17-,19-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256954
PNG
(US9493432, 80)
Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H21FN6OS/c1-28(21(30)15-5-2-3-7-18(15)29-24-11-12-25-29)19-8-4-6-16(19)26-22-27-17-10-9-14(23)13-20(17)31-22/h2-3,5,7,9-13,16,19H,4,6,8H2,1H3,(H,26,27)/t16-,19-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256953
PNG
(US9493432, 79)
Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C23H22FN5OS/c1-28(22(30)16-6-2-3-8-19(16)29-13-5-12-25-29)20-9-4-7-17(20)26-23-27-18-11-10-15(24)14-21(18)31-23/h2-3,5-6,8,10-14,17,20H,4,7,9H2,1H3,(H,26,27)/t17-,20-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256955
PNG
(US9493432, 81)
Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C22H20F2N6OS/c1-29(21(31)15-11-13(23)6-8-18(15)30-25-9-10-26-30)19-4-2-3-16(19)27-22-28-17-7-5-14(24)12-20(17)32-22/h5-12,16,19H,2-4H2,1H3,(H,27,28)/t16-,19-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256879
PNG
(US9493432, 3)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C21H22FN3O3S/c1-27-16-7-4-8-17(28-2)19(16)20(26)23-13-5-3-6-14(13)24-21-25-15-10-9-12(22)11-18(15)29-21/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,23,26)(H,24,25)/t13-,14-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256910
PNG
(US9493432, 34)
Show SMILES COc1cccc(OC)c1C(=O)N(C)[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C22H24FN3O3S/c1-26(21(27)20-17(28-2)8-5-9-18(20)29-3)16-7-4-6-14(16)24-22-25-15-11-10-13(23)12-19(15)30-22/h5,8-12,14,16H,4,6-7H2,1-3H3,(H,24,25)/t14-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256949
PNG
(US9493432, 75)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C21H19FN6OS/c22-13-8-9-17-19(12-13)30-21(27-17)26-16-6-3-5-15(16)25-20(29)14-4-1-2-7-18(14)28-23-10-11-24-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256911
PNG
(US9493432, 35)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3cccn3)sc2c1
Show InChI InChI=1S/C22H20FN5OS/c23-14-9-10-18-20(13-14)30-22(27-18)26-17-7-3-6-16(17)25-21(29)15-5-1-2-8-19(15)28-12-4-11-24-28/h1-2,4-5,8-13,16-17H,3,6-7H2,(H,25,29)(H,26,27)/t16-,17-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256979
PNG
(US9493432, 107)
Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C22H21FN6OS/c1-22(28-21-26-16-9-8-14(23)13-18(16)31-21)10-4-7-19(22)27-20(30)15-5-2-3-6-17(15)29-24-11-12-25-29/h2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3,(H,26,28)(H,27,30)
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256912
PNG
(US9493432, 36)
Show SMILES Fc1ccc(c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)-n1nccn1
Show InChI InChI=1S/C21H18F2N6OS/c22-12-5-7-18(29-24-8-9-25-29)14(10-12)20(30)26-15-2-1-3-16(15)27-21-28-17-6-4-13(23)11-19(17)31-21/h4-11,15-16H,1-3H2,(H,26,30)(H,27,28)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256913
PNG
(US9493432, 37)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3Cl)sc2c1
Show InChI InChI=1S/C19H17ClFN3OS/c20-13-5-2-1-4-12(13)18(25)22-14-6-3-7-15(14)23-19-24-16-9-8-11(21)10-17(16)26-19/h1-2,4-5,8-10,14-15H,3,6-7H2,(H,22,25)(H,23,24)/t14-,15-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256935
PNG
(US9493432, 59)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)[nH]c2c1
Show InChI InChI=1S/C21H20FN7O/c22-13-8-9-17-18(12-13)28-21(27-17)26-16-6-3-5-15(16)25-20(30)14-4-1-2-7-19(14)29-23-10-11-24-29/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,30)(H2,26,27,28)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256880
PNG
(US9493432, 4)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccccc2s1
Show InChI InChI=1S/C21H23N3O3S/c1-26-16-10-6-11-17(27-2)19(16)20(25)22-13-8-5-9-14(13)23-21-24-15-7-3-4-12-18(15)28-21/h3-4,6-7,10-14H,5,8-9H2,1-2H3,(H,22,25)(H,23,24)/t13-,14-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256973
PNG
(US9493432, 99)
Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N[C@@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1
Show InChI InChI=1S/C22H20FN5O3/c1-12-24-21(31-28-12)15-6-3-2-5-14(15)20(29)25-16-7-4-8-17(16)26-22-27-18-10-9-13(23)11-19(18)30-22/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,25,29)(H,26,27)/t16-,17+/m1/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256881
PNG
(US9493432, 5)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1Nc1nc2ccccc2s1
Show InChI InChI=1S/C21H23N3O3S/c1-26-16-10-6-11-17(27-2)19(16)20(25)22-13-8-5-9-14(13)23-21-24-15-7-3-4-12-18(15)28-21/h3-4,6-7,10-14H,5,8-9H2,1-2H3,(H,22,25)(H,23,24)/t13-,14+/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256980
PNG
(US9493432, 108)
Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C22H21ClN6OS/c1-22(28-21-26-16-9-8-14(23)13-18(16)31-21)10-4-7-19(22)27-20(30)15-5-2-3-6-17(15)29-24-11-12-25-29/h2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3,(H,26,28)(H,27,30)
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256892
PNG
(US9493432, 16)
Show SMILES Cc1ccc(c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)-n1nccn1
Show InChI InChI=1S/C22H21FN6OS/c1-13-5-8-19(29-24-9-10-25-29)15(11-13)21(30)26-16-3-2-4-17(16)27-22-28-18-7-6-14(23)12-20(18)31-22/h5-12,16-17H,2-4H2,1H3,(H,26,30)(H,27,28)/t16-,17-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256982
PNG
(US9493432, 104)
Show SMILES Fc1ccc2nc(N[C@H]3CC(F)(F)C[C@H]3NC(=O)c3ccccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C21H17F3N6OS/c22-12-5-6-14-18(9-12)32-20(28-14)29-16-11-21(23,24)10-15(16)27-19(31)13-3-1-2-4-17(13)30-25-7-8-26-30/h1-9,15-16H,10-11H2,(H,27,31)(H,28,29)/t15-,16+/m1/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256914
PNG
(US9493432, 38)
Show SMILES Cc1ccc(c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)-n1ccnn1
Show InChI InChI=1S/C22H21FN6OS/c1-13-5-8-19(29-10-9-24-28-29)15(11-13)21(30)25-16-3-2-4-17(16)26-22-27-18-7-6-14(23)12-20(18)31-22/h5-12,16-17H,2-4H2,1H3,(H,25,30)(H,26,27)/t16-,17-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256915
PNG
(US9493432, 39)
Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C22H20FN5O2S/c1-12-24-21(30-28-12)15-6-3-2-5-14(15)20(29)25-16-7-4-8-17(16)26-22-27-18-10-9-13(23)11-19(18)31-22/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,25,29)(H,26,27)/t16-,17-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256946
PNG
(US9493432, 72)
Show SMILES Cc1nnc(o1)-c1ccccc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C22H20FN5O2S/c1-12-27-28-21(30-12)15-6-3-2-5-14(15)20(29)24-16-7-4-8-17(16)25-22-26-18-10-9-13(23)11-19(18)31-22/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,24,29)(H,25,26)/t16-,17-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256966
PNG
(US9493432, 92)
Show SMILES Fc1ccc2sc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1S/C21H19FN6OS/c22-13-8-9-19-17(12-13)27-21(30-19)26-16-6-3-5-15(16)25-20(29)14-4-1-2-7-18(14)28-23-10-11-24-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256967
PNG
(US9493432, 93)
Show SMILES Fc1cc(F)c2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C21H18F2N6OS/c22-12-10-14(23)19-18(11-12)31-21(28-19)27-16-6-3-5-15(16)26-20(30)13-4-1-2-7-17(13)29-24-8-9-25-29/h1-2,4,7-11,15-16H,3,5-6H2,(H,26,30)(H,27,28)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256943
PNG
(US9493432, 69)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3c(F)cccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C21H18F2N6OS/c22-12-7-8-16-18(11-12)31-21(28-16)27-15-5-2-4-14(15)26-20(30)19-13(23)3-1-6-17(19)29-24-9-10-25-29/h1,3,6-11,14-15H,2,4-5H2,(H,26,30)(H,27,28)/t14-,15-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256895
PNG
(US9493432, 19)
Show SMILES Cc1ccc(c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccccc2s1)-n1nccn1
Show InChI InChI=1S/C22H22N6OS/c1-14-9-10-19(28-23-11-12-24-28)15(13-14)21(29)25-16-6-4-7-17(16)26-22-27-18-5-2-3-8-20(18)30-22/h2-3,5,8-13,16-17H,4,6-7H2,1H3,(H,25,29)(H,26,27)/t16-,17-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256916
PNG
(US9493432, 40)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-c3ncccn3)sc2c1
Show InChI InChI=1S/C23H20FN5OS/c24-14-9-10-19-20(13-14)31-23(29-19)28-18-8-3-7-17(18)27-22(30)16-6-2-1-5-15(16)21-25-11-4-12-26-21/h1-2,4-6,9-13,17-18H,3,7-8H2,(H,27,30)(H,28,29)/t17-,18-/m0/s1
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Takeda Pharmaceuticals Company Limited

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Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256964
PNG
(US9493432, 90)
Show SMILES O=C(N[C@H]1CCC[C@@H]1Nc1nc2ccccc2s1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H20N6OS/c28-20(14-6-1-3-10-18(14)27-22-12-13-23-27)24-15-8-5-9-16(15)25-21-26-17-7-2-4-11-19(17)29-21/h1-4,6-7,10-13,15-16H,5,8-9H2,(H,24,28)(H,25,26)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256917
PNG
(US9493432, 41)
Show SMILES COc1ccc(OC)c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C21H22FN3O3S/c1-27-13-7-9-18(28-2)14(11-13)20(26)23-15-4-3-5-16(15)24-21-25-17-8-6-12(22)10-19(17)29-21/h6-11,15-16H,3-5H2,1-2H3,(H,23,26)(H,24,25)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256978
PNG
(US9493432, 105)
Show SMILES FC1(F)C[C@H](NC(=O)c2ccccc2-n2nccn2)[C@@H](C1)Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H17ClF2N6OS/c22-12-5-6-14-18(9-12)32-20(28-14)29-16-11-21(23,24)10-15(16)27-19(31)13-3-1-2-4-17(13)30-25-7-8-26-30/h1-9,15-16H,10-11H2,(H,27,31)(H,28,29)/t15-,16+/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256965
PNG
(US9493432, 91)
Show SMILES Clc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C21H19ClN6OS/c22-13-8-9-17-19(12-13)30-21(27-17)26-16-6-3-5-15(16)25-20(29)14-4-1-2-7-18(14)28-23-10-11-24-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256897
PNG
(US9493432, 21)
Show SMILES Cc1ccc(c(c1)C(=O)N[C@@H]1CCC[C@@H]1Nc1cnc2ccccc2n1)-n1nccn1
Show InChI InChI=1S/C23H23N7O/c1-15-9-10-21(30-25-11-12-26-30)16(13-15)23(31)29-20-8-4-7-19(20)28-22-14-24-17-5-2-3-6-18(17)27-22/h2-3,5-6,9-14,19-20H,4,7-8H2,1H3,(H,27,28)(H,29,31)/t19-,20+/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256952
PNG
(US9493432, 78)
Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H19ClFN3OS/c1-25(19(26)13-5-2-3-6-14(13)21)17-8-4-7-15(17)23-20-24-16-10-9-12(22)11-18(16)27-20/h2-3,5-6,9-11,15,17H,4,7-8H2,1H3,(H,23,24)/t15-,17-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256961
PNG
(US9493432, 87)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)oc2c1
Show InChI InChI=1S/C21H19FN6O2/c22-13-8-9-17-19(12-13)30-21(27-17)26-16-6-3-5-15(16)25-20(29)14-4-1-2-7-18(14)28-23-10-11-24-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256962
PNG
(US9493432, 88)
Show SMILES Fc1ccc2oc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1S/C21H19FN6O2/c22-13-8-9-19-17(12-13)27-21(30-19)26-16-6-3-5-15(16)25-20(29)14-4-1-2-7-18(14)28-23-10-11-24-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256974
PNG
(BDBM256975 | US9493432, 100)
Show SMILES Fc1ccc2nc(NC3COCC3NC(=O)c3ccccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C20H17FN6O2S/c21-12-5-6-14-18(9-12)30-20(25-14)26-16-11-29-10-15(16)24-19(28)13-3-1-2-4-17(13)27-22-7-8-23-27/h1-9,15-16H,10-11H2,(H,24,28)(H,25,26)
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256950
PNG
(US9493432, 76)
Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C20H18F3N3OS/c1-26(19(27)18-12(22)4-2-5-13(18)23)16-7-3-6-14(16)24-20-25-15-9-8-11(21)10-17(15)28-20/h2,4-5,8-10,14,16H,3,6-7H2,1H3,(H,24,25)/t14-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256898
PNG
(US9493432, 22)
Show SMILES COc1cccc(OC)c1C(=O)NC1CN(CC1Nc1nc2ccc(Cl)cc2s1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H27ClN4O5S/c1-36-22-9-6-10-23(37-2)25(22)26(34)30-20-14-33(28(35)38-16-17-7-4-3-5-8-17)15-21(20)32-27-31-19-12-11-18(29)13-24(19)39-27/h3-13,20-21H,14-16H2,1-2H3,(H,30,34)(H,31,32)
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256959
PNG
(US9493432, 85)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2cc(F)ccc2o1
Show InChI InChI=1S/C21H22FN3O4/c1-27-17-7-4-8-18(28-2)19(17)20(26)23-13-5-3-6-14(13)24-21-25-15-11-12(22)9-10-16(15)29-21/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,23,26)(H,24,25)/t13-,14-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256936
PNG
(US9493432, 60)
Show SMILES Cc1ccc(c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1ncc2ccccc2n1)-n1nccn1
Show InChI InChI=1S/C23H23N7O/c1-15-9-10-21(30-25-11-12-26-30)17(13-15)22(31)27-19-7-4-8-20(19)29-23-24-14-16-5-2-3-6-18(16)28-23/h2-3,5-6,9-14,19-20H,4,7-8H2,1H3,(H,27,31)(H,24,28,29)/t19-,20-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256918
PNG
(US9493432, 42)
Show SMILES Fc1ccc(-c2ncccn2)c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C23H19F2N5OS/c24-13-5-7-15(21-26-9-2-10-27-21)16(11-13)22(31)28-17-3-1-4-18(17)29-23-30-19-8-6-14(25)12-20(19)32-23/h2,5-12,17-18H,1,3-4H2,(H,28,31)(H,29,30)/t17-,18-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256945
PNG
(US9493432, 71)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3c(Cl)cccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C21H18ClFN6OS/c22-13-3-1-6-17(29-24-9-10-25-29)19(13)20(30)26-14-4-2-5-15(14)27-21-28-16-8-7-12(23)11-18(16)31-21/h1,3,6-11,14-15H,2,4-5H2,(H,26,30)(H,27,28)/t14-,15-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256894
PNG
(US9493432, 18)
Show SMILES CCOc1cccc(OCC)c1C(=O)N[C@H]1CCC[C@H]1Nc1nc2ccccc2o1
Show InChI InChI=1S/C23H27N3O4/c1-3-28-19-13-8-14-20(29-4-2)21(19)22(27)24-15-10-7-11-16(15)25-23-26-17-9-5-6-12-18(17)30-23/h5-6,8-9,12-16H,3-4,7,10-11H2,1-2H3,(H,24,27)(H,25,26)/t15-,16+/m0/s1
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US Patent
n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256951
PNG
(US9493432, 77)
Show SMILES COc1ccccc1C(=O)N(C)[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C21H22FN3O2S/c1-25(20(26)14-6-3-4-9-18(14)27-2)17-8-5-7-15(17)23-21-24-16-11-10-13(22)12-19(16)28-21/h3-4,6,9-12,15,17H,5,7-8H2,1-2H3,(H,23,24)/t15-,17-/m0/s1
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UniChem
US Patent
n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256883
PNG
(US9493432, 7)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1Nc1nc2ccccc2o1
Show InChI InChI=1S/C21H23N3O4/c1-26-17-11-6-12-18(27-2)19(17)20(25)22-13-8-5-9-14(13)23-21-24-15-7-3-4-10-16(15)28-21/h3-4,6-7,10-14H,5,8-9H2,1-2H3,(H,22,25)(H,23,24)/t13-,14+/m0/s1
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US Patent
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256963
PNG
(US9493432, 89)
Show SMILES Clc1ccc2sc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1S/C21H19ClN6OS/c22-13-8-9-19-17(12-13)27-21(30-19)26-16-6-3-5-15(16)25-20(29)14-4-1-2-7-18(14)28-23-10-11-24-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256939
PNG
(US9493432, 65)
Show SMILES COc1cccc(OC)c1C(=O)NC1COCC1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C20H20FN3O4S/c1-26-15-4-3-5-16(27-2)18(15)19(25)22-13-9-28-10-14(13)24-20-23-12-7-6-11(21)8-17(12)29-20/h3-8,13-14H,9-10H2,1-2H3,(H,22,25)(H,23,24)
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US Patent
n/an/a 29n/an/an/an/an/an/a



Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256968
PNG
(US9493432, 94)
Show SMILES Fc1cccc2sc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)nc12
Show InChI InChI=1S/C21H19FN6OS/c22-14-6-3-10-18-19(14)27-21(30-18)26-16-8-4-7-15(16)25-20(29)13-5-1-2-9-17(13)28-23-11-12-24-28/h1-3,5-6,9-12,15-16H,4,7-8H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256884
PNG
(US9493432, 8)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1N(C)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C22H24FN3O3S/c1-26(22-25-15-11-10-13(23)12-19(15)30-22)16-7-4-6-14(16)24-21(27)20-17(28-2)8-5-9-18(20)29-3/h5,8-12,14,16H,4,6-7H2,1-3H3,(H,24,27)/t14-,16-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM256882
PNG
(US9493432, 6)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C21H22ClN3O3S/c1-27-16-7-4-8-17(28-2)19(16)20(26)23-13-5-3-6-14(13)24-21-25-15-11-12(22)9-10-18(15)29-21/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,23,26)(H,24,25)/t13-,14-/m0/s1
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UniChem
US Patent
n/an/a 35n/an/an/an/an/an/a



Takeda Pharmaceuticals Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


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