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Patent code US9790220

Compile Data Set for Download or QSAR
Found 49 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 type 1


(Homo sapiens (Human))
BDBM347773
PNG
(US9790220, Example 6)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C20H18FN7OS/c21-12-6-7-15-17(11-12)30-20(27-15)26-14-4-1-3-13(14)25-19(29)18-16(5-2-8-22-18)28-23-9-10-24-28/h2,5-11,13-14H,1,3-4H2,(H,25,29)(H,26,27)/t13-,14-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347772
PNG
(US9790220, Example 5)
Show SMILES COc1cccnc1C(=O)N(C)[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C20H21FN4O2S/c1-25(19(26)18-16(27-2)7-4-10-22-18)15-6-3-5-13(15)23-20-24-14-9-8-12(21)11-17(14)28-20/h4,7-11,13,15H,3,5-6H2,1-2H3,(H,23,24)/t13-,15-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347777
PNG
(US9790220, Example 10)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3cccn3)sc2c1
Show InChI InChI=1S/C21H19FN6OS/c22-13-7-8-16-18(12-13)30-21(27-16)26-15-5-1-4-14(15)25-20(29)19-17(6-2-9-23-19)28-11-3-10-24-28/h2-3,6-12,14-15H,1,4-5H2,(H,25,29)(H,26,27)/t14-,15-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347788
PNG
(US9790220, Example 21)
Show SMILES Clc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C20H18ClN7OS/c21-12-6-7-15-17(11-12)30-20(27-15)26-14-4-1-3-13(14)25-19(29)18-16(5-2-8-22-18)28-23-9-10-24-28/h2,5-11,13-14H,1,3-4H2,(H,25,29)(H,26,27)/t13-,14-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347786
PNG
(US9790220, Example 19)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3OC(F)(F)F)sc2c1
Show InChI InChI=1S/C19H16F4N4O2S/c20-10-6-7-13-15(9-10)30-18(27-13)26-12-4-1-3-11(12)25-17(28)16-14(5-2-8-24-16)29-19(21,22)23/h2,5-9,11-12H,1,3-4H2,(H,25,28)(H,26,27)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347775
PNG
(US9790220, Example 8)
Show SMILES CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C21H23FN4O2S/c1-12(2)28-17-7-4-10-23-19(17)20(27)24-14-5-3-6-15(14)25-21-26-16-9-8-13(22)11-18(16)29-21/h4,7-12,14-15H,3,5-6H2,1-2H3,(H,24,27)(H,25,26)/t14-,15-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347785
PNG
(US9790220, Example 18)
Show SMILES CCOc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C20H21FN4O2S/c1-2-27-16-7-4-10-22-18(16)19(26)23-13-5-3-6-14(13)24-20-25-15-9-8-12(21)11-17(15)28-20/h4,7-11,13-14H,2-3,5-6H2,1H3,(H,23,26)(H,24,25)/t13-,14-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347779
PNG
(US9790220, Example 12)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3N3CCCCC3)sc2c1
Show InChI InChI=1S/C23H26FN5OS/c24-15-9-10-18-20(14-15)31-23(28-18)27-17-7-4-6-16(17)26-22(30)21-19(8-5-11-25-21)29-12-2-1-3-13-29/h5,8-11,14,16-17H,1-4,6-7,12-13H2,(H,26,30)(H,27,28)/t16-,17-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347769
PNG
(US9790220, Example 1)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3Br)sc2c1
Show InChI InChI=1S/C18H16BrFN4OS/c19-11-3-2-8-21-16(11)17(25)22-12-4-1-5-13(12)23-18-24-14-7-6-10(20)9-15(14)26-18/h2-3,6-9,12-13H,1,4-5H2,(H,22,25)(H,23,24)/t12-,13-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347780
PNG
(US9790220, Example 13)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3N3CCC3)sc2c1
Show InChI InChI=1S/C21H22FN5OS/c22-13-7-8-16-18(12-13)29-21(26-16)25-15-5-1-4-14(15)24-20(28)19-17(6-2-9-23-19)27-10-3-11-27/h2,6-9,12,14-15H,1,3-5,10-11H2,(H,24,28)(H,25,26)/t14-,15-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347793
PNG
(US9790220, Example 26 | US9790220, Example 27)
Show SMILES CCOc1ccc(C)nc1C(=O)NC1CCCC1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C24H27N3O2/c1-3-29-22-14-11-16(2)25-23(22)24(28)27-21-10-6-8-18(21)15-19-13-12-17-7-4-5-9-20(17)26-19/h4-5,7,9,11-14,18,21H,3,6,8,10,15H2,1-2H3,(H,27,28)
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347776
PNG
(US9790220, Example 9)
Show SMILES COc1ccc(C)nc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C20H21FN4O2S/c1-11-6-9-16(27-2)18(22-11)19(26)23-13-4-3-5-14(13)24-20-25-15-8-7-12(21)10-17(15)28-20/h6-10,13-14H,3-5H2,1-2H3,(H,23,26)(H,24,25)/t13-,14-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347791
PNG
(US9790220, Example 24)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3ccnn3)sc2c1
Show InChI InChI=1S/C20H18FN7OS/c21-12-6-7-15-17(11-12)30-20(26-15)25-14-4-1-3-13(14)24-19(29)18-16(5-2-8-22-18)28-10-9-23-27-28/h2,5-11,13-14H,1,3-4H2,(H,24,29)(H,25,26)/t13-,14-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347787
PNG
(US9790220, Example 20)
Show SMILES FC(F)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C19H17F3N4O2S/c20-10-6-7-13-15(9-10)29-19(26-13)25-12-4-1-3-11(12)24-17(27)16-14(28-18(21)22)5-2-8-23-16/h2,5-9,11-12,18H,1,3-4H2,(H,24,27)(H,25,26)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347770
PNG
(US9790220, Example 2)
Show SMILES COc1ccc(Br)nc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C19H18BrFN4O2S/c1-27-14-7-8-16(20)25-17(14)18(26)22-11-3-2-4-12(11)23-19-24-13-6-5-10(21)9-15(13)28-19/h5-9,11-12H,2-4H2,1H3,(H,22,26)(H,23,24)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347782
PNG
(US9790220, Example 15)
Show SMILES COC1CN(C1)c1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C22H24FN5O2S/c1-30-14-11-28(12-14)18-6-3-9-24-20(18)21(29)25-15-4-2-5-16(15)26-22-27-17-8-7-13(23)10-19(17)31-22/h3,6-10,14-16H,2,4-5,11-12H2,1H3,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347781
PNG
(US9790220, Example 14)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3N3CCCC3)sc2c1
Show InChI InChI=1S/C22H24FN5OS/c23-14-8-9-17-19(13-14)30-22(27-17)26-16-6-3-5-15(16)25-21(29)20-18(7-4-10-24-20)28-11-1-2-12-28/h4,7-10,13,15-16H,1-3,5-6,11-12H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347771
PNG
(US9790220, Example 3)
Show SMILES COc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C19H19FN4O2S/c1-26-15-6-3-9-21-17(15)18(25)22-12-4-2-5-13(12)23-19-24-14-8-7-11(20)10-16(14)27-19/h3,6-10,12-13H,2,4-5H2,1H3,(H,22,25)(H,23,24)/t12-,13-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347784
PNG
(US9790220, Example 17)
Show SMILES COc1ccc(nc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O2S/c1-30-14-7-8-16(20(22,23)24)28-17(14)18(29)25-11-3-2-4-12(11)26-19-27-13-6-5-10(21)9-15(13)31-19/h5-9,11-12H,2-4H2,1H3,(H,25,29)(H,26,27)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347790
PNG
(US9790220, Example 23)
Show SMILES FC(F)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1
Show InChI InChI=1S/C19H17F3N4O3/c20-10-6-7-13-15(9-10)29-19(26-13)25-12-4-1-3-11(12)24-17(27)16-14(28-18(21)22)5-2-8-23-16/h2,5-9,11-12,18H,1,3-4H2,(H,24,27)(H,25,26)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347789
PNG
(US9790220, Example 22)
Show SMILES FC(F)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C19H17ClF2N4O2S/c20-10-6-7-13-15(9-10)29-19(26-13)25-12-4-1-3-11(12)24-17(27)16-14(28-18(21)22)5-2-8-23-16/h2,5-9,11-12,18H,1,3-4H2,(H,24,27)(H,25,26)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347778
PNG
(US9790220, Example 11)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3F)sc2c1
Show InChI InChI=1S/C18H16F2N4OS/c19-10-6-7-14-15(9-10)26-18(24-14)23-13-5-1-4-12(13)22-17(25)16-11(20)3-2-8-21-16/h2-3,6-9,12-13H,1,4-5H2,(H,22,25)(H,23,24)/t12-,13-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347774
PNG
(US9790220, Example 7)
Show SMILES COc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1
Show InChI InChI=1S/C19H19FN4O3/c1-26-15-6-3-9-21-17(15)18(25)22-12-4-2-5-13(12)23-19-24-14-8-7-11(20)10-16(14)27-19/h3,6-10,12-13H,2,4-5H2,1H3,(H,22,25)(H,23,24)/t12-,13-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347783
PNG
(US9790220, Example 16)
Show SMILES COc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc2ccccc2n1
Show InChI InChI=1S/C20H21N5O2/c1-27-17-10-5-11-21-19(17)20(26)25-16-9-4-8-15(16)24-18-12-22-13-6-2-3-7-14(13)23-18/h2-3,5-7,10-12,15-16H,4,8-9H2,1H3,(H,23,24)(H,25,26)/t15-,16-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347792
PNG
(US9790220, Example 25)
Show SMILES FC(F)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C19H17ClF2N4O3/c20-10-6-7-13-15(9-10)29-19(26-13)25-12-4-1-3-11(12)24-17(27)16-14(28-18(21)22)5-2-8-23-16/h2,5-9,11-12,18H,1,3-4H2,(H,24,27)(H,25,26)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM347793
PNG
(US9790220, Example 26 | US9790220, Example 27)
Show SMILES CCOc1ccc(C)nc1C(=O)NC1CCCC1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C24H27N3O2/c1-3-29-22-14-11-16(2)25-23(22)24(28)27-21-10-6-8-18(21)15-19-13-12-17-7-4-5-9-20(17)26-19/h4-5,7,9,11-14,18,21H,3,6,8,10,15H2,1-2H3,(H,27,28)
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347772
PNG
(US9790220, Example 5)
Show SMILES COc1cccnc1C(=O)N(C)[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C20H21FN4O2S/c1-25(19(26)18-16(27-2)7-4-10-22-18)15-6-3-5-13(15)23-20-24-14-9-8-12(21)11-17(14)28-20/h4,7-11,13,15H,3,5-6H2,1-2H3,(H,23,24)/t13-,15-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347775
PNG
(US9790220, Example 8)
Show SMILES CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C21H23FN4O2S/c1-12(2)28-17-7-4-10-23-19(17)20(27)24-14-5-3-6-15(14)25-21-26-16-9-8-13(22)11-18(16)29-21/h4,7-12,14-15H,3,5-6H2,1-2H3,(H,24,27)(H,25,26)/t14-,15-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347786
PNG
(US9790220, Example 19)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3OC(F)(F)F)sc2c1
Show InChI InChI=1S/C19H16F4N4O2S/c20-10-6-7-13-15(9-10)30-18(27-13)26-12-4-1-3-11(12)25-17(28)16-14(5-2-8-24-16)29-19(21,22)23/h2,5-9,11-12H,1,3-4H2,(H,25,28)(H,26,27)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347793
PNG
(US9790220, Example 26 | US9790220, Example 27)
Show SMILES CCOc1ccc(C)nc1C(=O)NC1CCCC1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C24H27N3O2/c1-3-29-22-14-11-16(2)25-23(22)24(28)27-21-10-6-8-18(21)15-19-13-12-17-7-4-5-9-20(17)26-19/h4-5,7,9,11-14,18,21H,3,6,8,10,15H2,1-2H3,(H,27,28)
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347785
PNG
(US9790220, Example 18)
Show SMILES CCOc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C20H21FN4O2S/c1-2-27-16-7-4-10-22-18(16)19(26)23-13-5-3-6-14(13)24-20-25-15-9-8-12(21)11-17(15)28-20/h4,7-11,13-14H,2-3,5-6H2,1H3,(H,23,26)(H,24,25)/t13-,14-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347784
PNG
(US9790220, Example 17)
Show SMILES COc1ccc(nc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O2S/c1-30-14-7-8-16(20(22,23)24)28-17(14)18(29)25-11-3-2-4-12(11)26-19-27-13-6-5-10(21)9-15(13)31-19/h5-9,11-12H,2-4H2,1H3,(H,25,29)(H,26,27)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347782
PNG
(US9790220, Example 15)
Show SMILES COC1CN(C1)c1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C22H24FN5O2S/c1-30-14-11-28(12-14)18-6-3-9-24-20(18)21(29)25-15-4-2-5-16(15)26-22-27-17-8-7-13(23)10-19(17)31-22/h3,6-10,14-16H,2,4-5,11-12H2,1H3,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347791
PNG
(US9790220, Example 24)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3ccnn3)sc2c1
Show InChI InChI=1S/C20H18FN7OS/c21-12-6-7-15-17(11-12)30-20(26-15)25-14-4-1-3-13(14)24-19(29)18-16(5-2-8-22-18)28-10-9-23-27-28/h2,5-11,13-14H,1,3-4H2,(H,24,29)(H,25,26)/t13-,14-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347778
PNG
(US9790220, Example 11)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3F)sc2c1
Show InChI InChI=1S/C18H16F2N4OS/c19-10-6-7-14-15(9-10)26-18(24-14)23-13-5-1-4-12(13)22-17(25)16-11(20)3-2-8-21-16/h2-3,6-9,12-13H,1,4-5H2,(H,22,25)(H,23,24)/t12-,13-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347777
PNG
(US9790220, Example 10)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3cccn3)sc2c1
Show InChI InChI=1S/C21H19FN6OS/c22-13-7-8-16-18(12-13)30-21(27-16)26-15-5-1-4-14(15)25-20(29)19-17(6-2-9-23-19)28-11-3-10-24-28/h2-3,6-12,14-15H,1,4-5H2,(H,25,29)(H,26,27)/t14-,15-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347776
PNG
(US9790220, Example 9)
Show SMILES COc1ccc(C)nc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C20H21FN4O2S/c1-11-6-9-16(27-2)18(22-11)19(26)23-13-4-3-5-14(13)24-20-25-15-8-7-12(21)10-17(15)28-20/h6-10,13-14H,3-5H2,1-2H3,(H,23,26)(H,24,25)/t13-,14-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347780
PNG
(US9790220, Example 13)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3N3CCC3)sc2c1
Show InChI InChI=1S/C21H22FN5OS/c22-13-7-8-16-18(12-13)29-21(26-16)25-15-5-1-4-14(15)24-20(28)19-17(6-2-9-23-19)27-10-3-11-27/h2,6-9,12,14-15H,1,3-5,10-11H2,(H,24,28)(H,25,26)/t14-,15-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347773
PNG
(US9790220, Example 6)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C20H18FN7OS/c21-12-6-7-15-17(11-12)30-20(27-15)26-14-4-1-3-13(14)25-19(29)18-16(5-2-8-22-18)28-23-9-10-24-28/h2,5-11,13-14H,1,3-4H2,(H,25,29)(H,26,27)/t13-,14-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347771
PNG
(US9790220, Example 3)
Show SMILES COc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C19H19FN4O2S/c1-26-15-6-3-9-21-17(15)18(25)22-12-4-2-5-13(12)23-19-24-14-8-7-11(20)10-16(14)27-19/h3,6-10,12-13H,2,4-5H2,1H3,(H,22,25)(H,23,24)/t12-,13-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347790
PNG
(US9790220, Example 23)
Show SMILES FC(F)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1
Show InChI InChI=1S/C19H17F3N4O3/c20-10-6-7-13-15(9-10)29-19(26-13)25-12-4-1-3-11(12)24-17(27)16-14(28-18(21)22)5-2-8-23-16/h2,5-9,11-12,18H,1,3-4H2,(H,24,27)(H,25,26)/t11-,12-/m0/s1
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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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347769
PNG
(US9790220, Example 1)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3Br)sc2c1
Show InChI InChI=1S/C18H16BrFN4OS/c19-11-3-2-8-21-16(11)17(25)22-12-4-1-5-13(12)23-18-24-14-7-6-10(20)9-15(14)26-18/h2-3,6-9,12-13H,1,4-5H2,(H,22,25)(H,23,24)/t12-,13-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347792
PNG
(US9790220, Example 25)
Show SMILES FC(F)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C19H17ClF2N4O3/c20-10-6-7-13-15(9-10)29-19(26-13)25-12-4-1-3-11(12)24-17(27)16-14(28-18(21)22)5-2-8-23-16/h2,5-9,11-12,18H,1,3-4H2,(H,24,27)(H,25,26)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347789
PNG
(US9790220, Example 22)
Show SMILES FC(F)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C19H17ClF2N4O2S/c20-10-6-7-13-15(9-10)29-19(26-13)25-12-4-1-3-11(12)24-17(27)16-14(28-18(21)22)5-2-8-23-16/h2,5-9,11-12,18H,1,3-4H2,(H,24,27)(H,25,26)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347788
PNG
(US9790220, Example 21)
Show SMILES Clc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3nccn3)sc2c1
Show InChI InChI=1S/C20H18ClN7OS/c21-12-6-7-15-17(11-12)30-20(27-15)26-14-4-1-3-13(14)25-19(29)18-16(5-2-8-22-18)28-23-9-10-24-28/h2,5-11,13-14H,1,3-4H2,(H,25,29)(H,26,27)/t13-,14-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347781
PNG
(US9790220, Example 14)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3N3CCCC3)sc2c1
Show InChI InChI=1S/C22H24FN5OS/c23-14-8-9-17-19(13-14)30-22(27-17)26-16-6-3-5-15(16)25-21(29)20-18(7-4-10-24-20)28-11-1-2-12-28/h4,7-10,13,15-16H,1-3,5-6,11-12H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347787
PNG
(US9790220, Example 20)
Show SMILES FC(F)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C19H17F3N4O2S/c20-10-6-7-13-15(9-10)29-19(26-13)25-12-4-1-3-11(12)24-17(27)16-14(28-18(21)22)5-2-8-23-16/h2,5-9,11-12,18H,1,3-4H2,(H,24,27)(H,25,26)/t11-,12-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347779
PNG
(US9790220, Example 12)
Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3N3CCCCC3)sc2c1
Show InChI InChI=1S/C23H26FN5OS/c24-15-9-10-18-20(14-15)31-23(28-18)27-17-7-4-6-16(17)26-22(30)21-19(8-5-11-25-21)29-12-2-1-3-13-29/h5,8-11,14,16-17H,1-4,6-7,12-13H2,(H,26,30)(H,27,28)/t16-,17-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347774
PNG
(US9790220, Example 7)
Show SMILES COc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1
Show InChI InChI=1S/C19H19FN4O3/c1-26-15-6-3-9-21-17(15)18(25)22-12-4-2-5-13(12)23-19-24-14-8-7-11(20)10-16(14)27-19/h3,6-10,12-13H,2,4-5H2,1H3,(H,22,25)(H,23,24)/t12-,13-/m0/s1
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Takeda Pharmaceutical 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...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%