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USPatent US9156829

Compile Data Set for Download or QSAR

Found 308 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185336
PNG
(US10011588, Example 158 | US10689373, Example 158 ...)
Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F4N6O/c1-2-16-21(30-12-19(31-16)23(25,26)27)32-17-5-3-6-18(17)33-22(34)15-11-13(24)7-8-14(15)20-28-9-4-10-29-20/h4,7-12,17-18H,2-3,5-6H2,1H3,(H,30,32)(H,33,34)/t17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185275
PNG
(US10011588, Example 91 | US10689373, Example 91 | ...)
Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N6O/c1-21(31-18-13-28-17(12-29-18)22(23,24)25)9-4-8-16(21)30-20(32)15-7-3-2-6-14(15)19-26-10-5-11-27-19/h2-3,5-7,10-13,16H,4,8-9H2,1H3,(H,29,31)(H,30,32)/t16-,21-/m0/s1
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n/an/a 6n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185325
PNG
(US10011588, Example 146 | US10689373, Example 146 ...)
Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ncc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H20F4N6O/c1-21(32-19-15(23)11-13(12-30-19)22(24,25)26)7-2-6-16(21)31-20(33)17-14(5-3-8-27-17)18-28-9-4-10-29-18/h3-5,8-12,16H,2,6-7H2,1H3,(H,30,32)(H,31,33)
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n/an/a 7n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185265
PNG
(US10011588, Example 81 | US10689373, Example 81 | ...)
Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N7O/c1-19(29-17-12-24-16(11-25-17)20(21,22)23)8-4-7-15(19)28-18(31)13-5-2-3-6-14(13)30-26-9-10-27-30/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H,25,29)(H,28,31)/t15-,19-/m0/s1
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n/an/a 7n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185332
PNG
(US10011588, Example 155 | US10689373, Example 155 ...)
Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N7O/c1-19(29-16-7-6-13(12-25-16)20(21,22)23)8-2-5-15(19)28-18(31)17-14(4-3-9-24-17)30-26-10-11-27-30/h3-4,6-7,9-12,15H,2,5,8H2,1H3,(H,25,29)(H,28,31)
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n/an/a 8n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185287
PNG
(US10011588, Example 103 | US10689373, Example 103 ...)
Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ncc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H19F4N7O/c1-19(30-17-13(21)10-12(11-26-17)20(22,23)24)6-2-5-15(19)29-18(32)16-14(4-3-7-25-16)31-27-8-9-28-31/h3-4,7-11,15H,2,5-6H2,1H3,(H,26,30)(H,29,32)
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n/an/a 8n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185271
PNG
(US10011588, Example 87 | US10689373, Example 87 | ...)
Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1c(Cl)cccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-16-11-25-15(10-26-16)20(22,23)24)7-3-6-14(19)29-18(32)17-12(21)4-2-5-13(17)31-27-8-9-28-31/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,26,30)(H,29,32)/t14-,19-/m0/s1
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n/an/a 8n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185276
PNG
(US10011588, Example 92 | US10689373, Example 92 | ...)
Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1cc(Cl)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-17-11-25-16(10-26-17)20(22,23)24)6-2-3-15(19)29-18(32)13-9-12(21)4-5-14(13)31-27-7-8-28-31/h4-5,7-11,15H,2-3,6H2,1H3,(H,26,30)(H,29,32)/t15-,19-/m0/s1
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n/an/a 8n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185334
PNG
(US10011588, Example 156 | US10689373, Example 156 ...)
Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O/c1-21(31-17-8-7-14(13-29-17)22(23,24)25)9-2-6-16(21)30-20(32)18-15(5-3-10-26-18)19-27-11-4-12-28-19/h3-5,7-8,10-13,16H,2,6,9H2,1H3,(H,29,31)(H,30,32)
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n/an/a 11n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185324
PNG
(US10011588, Example 145 | US10689373, Example 145 ...)
Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H21F3N6O2/c1-12-27-19(32-30-12)14-7-4-3-6-13(14)18(31)28-15-8-5-9-20(15,2)29-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,29)(H,28,31)/t15-,20-/m0/s1
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n/an/a 11n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185321
PNG
(US10011588, Example 142 | US10689373, Example 142 ...)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-n2nccn2)c(n1)C1CC1 |r|
Show InChI InChI=1S/C21H21F3N8O/c22-21(23,24)16-11-26-19(17(31-16)12-6-7-12)29-13-3-1-4-14(13)30-20(33)18-15(5-2-8-25-18)32-27-9-10-28-32/h2,5,8-14H,1,3-4,6-7H2,(H,26,29)(H,30,33)/t13-,14-/m0/s1
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n/an/a 12n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185261
PNG
(US10011588, Example 77 | US10689373, Example 77 | ...)
Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N8O/c1-18(29-15-11-24-14(10-25-15)19(20,21)22)6-2-5-13(18)28-17(31)16-12(4-3-7-23-16)30-26-8-9-27-30/h3-4,7-11,13H,2,5-6H2,1H3,(H,25,29)(H,28,31)/t13-,18-/m0/s1
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n/an/a 12n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185313
PNG
(US10011588, Example 132 | US10689373, Example 132 ...)
Show SMILES Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/m0/s1
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n/an/a 12n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185323
PNG
(US10011588, Example 144 | US10689373, Example 144 ...)
Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H20F3N7O/c1-20(31-16-12-28-15(11-29-16)21(22,23)24)7-2-6-14(20)30-19(32)17-13(5-3-8-25-17)18-26-9-4-10-27-18/h3-5,8-12,14H,2,6-7H2,1H3,(H,29,31)(H,30,32)/t14-,20-/m0/s1
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n/an/a 13n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185306
PNG
(US10011588, Example 125 | US10689373, Example 125 ...)
Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F3N8O/c1-2-12-18(25-11-16(28-12)20(21,22)23)29-13-5-3-6-14(13)30-19(32)17-15(7-4-8-24-17)31-26-9-10-27-31/h4,7-11,13-14H,2-3,5-6H2,1H3,(H,25,29)(H,30,32)/t13-,14-/m0/s1
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n/an/a 14n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185269
PNG
(US10011588, Example 85 | US10689373, Example 85 | ...)
Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ncccc1-n1cccn1)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N7O/c1-19(29-16-12-25-15(11-26-16)20(21,22)23)7-2-6-14(19)28-18(31)17-13(5-3-8-24-17)30-10-4-9-27-30/h3-5,8-12,14H,2,6-7H2,1H3,(H,26,29)(H,28,31)/t14-,19-/m0/s1
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n/an/a 18n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185304
PNG
(US10011588, Example 123 | US10689373, Example 123 ...)
Show SMILES Fc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C19H17F4N7O/c20-12-9-11(19(21,22)23)10-25-17(12)28-13-3-1-4-14(13)29-18(31)16-15(5-2-6-24-16)30-26-7-8-27-30/h2,5-10,13-14H,1,3-4H2,(H,25,28)(H,29,31)/t13-,14-/m0/s1
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n/an/a 18n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185279
PNG
(US10011588, Example 95 | US10689373, Example 95 | ...)
Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O/c1-20(29-18-9-8-14(13-25-18)21(22,23)24)10-4-7-17(20)28-19(31)15-5-2-3-6-16(15)30-26-11-12-27-30/h2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3,(H,25,29)(H,28,31)
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n/an/a 19n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185327
PNG
(US10011588, Example 148 | US10689373, Example 148 ...)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-c2ncccn2)c(Cl)c1 |r|
Show InChI InChI=1S/C21H18ClF3N6O/c22-14-10-12(21(23,24)25)11-29-19(14)30-15-5-1-6-16(15)31-20(32)17-13(4-2-7-26-17)18-27-8-3-9-28-18/h2-4,7-11,15-16H,1,5-6H2,(H,29,30)(H,31,32)/t15-,16-/m0/s1
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n/an/a 19n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185262
PNG
(US10011588, Example 78 | US10689373, Example 78 | ...)
Show SMILES Cc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N7O/c1-12-18(24-11-17(27-12)20(21,22)23)28-14-6-4-7-15(14)29-19(31)13-5-2-3-8-16(13)30-25-9-10-26-30/h2-3,5,8-11,14-15H,4,6-7H2,1H3,(H,24,28)(H,29,31)/t14-,15-/m0/s1
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n/an/a 19n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185266
PNG
(US10011588, Example 82 | US10689373, Example 82 | ...)
Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N7O/c1-19(29-17-12-24-16(11-25-17)20(21,22)23)8-4-7-15(19)28-18(31)13-5-2-3-6-14(13)30-26-9-10-27-30/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H,25,29)(H,28,31)
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n/an/a 21n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185305
PNG
(US10011588, Example 124 | US10689373, Example 124 ...)
Show SMILES Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N7O/c1-12-10-13(20(21,22)23)11-25-18(12)28-14-4-2-5-15(14)29-19(31)17-16(6-3-7-24-17)30-26-8-9-27-30/h3,6-11,14-15H,2,4-5H2,1H3,(H,25,28)(H,29,31)/t14-,15-/m0/s1
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n/an/a 21n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185292
PNG
(US10011588, Example 109 | US10689373, Example 109 ...)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(n1)C1CC1 |r|
Show InChI InChI=1S/C22H22F3N7O/c23-22(24,25)18-12-26-20(19(31-18)13-8-9-13)29-15-5-3-6-16(15)30-21(33)14-4-1-2-7-17(14)32-27-10-11-28-32/h1-2,4,7,10-13,15-16H,3,5-6,8-9H2,(H,26,29)(H,30,33)/t15-,16-/m0/s1
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n/an/a 21n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185268
PNG
(US10011588, Example 84 | US10689373, Example 84 | ...)
Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1cc(F)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N7O/c1-19(30-17-11-25-16(10-26-17)20(22,23)24)6-2-3-15(19)29-18(32)13-9-12(21)4-5-14(13)31-27-7-8-28-31/h4-5,7-11,15H,2-3,6H2,1H3,(H,26,30)(H,29,32)/t15-,19-/m0/s1
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n/an/a 22n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185301
PNG
(US10011588, Example 119 | US10689373, Example 119 ...)
Show SMILES COc1cc(Br)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H21BrN6O2/c1-29-18-11-13(21)12-22-19(18)25-15-6-4-7-16(15)26-20(28)14-5-2-3-8-17(14)27-23-9-10-24-27/h2-3,5,8-12,15-16H,4,6-7H2,1H3,(H,22,25)(H,26,28)/t15-,16-/m0/s1
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n/an/a 22n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185326
PNG
(US10011588, Example 147 | US10689373, Example 147 ...)
Show SMILES Fc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F4N6O/c22-14-10-12(21(23,24)25)11-29-19(14)30-15-5-1-6-16(15)31-20(32)17-13(4-2-7-26-17)18-27-8-3-9-28-18/h2-4,7-11,15-16H,1,5-6H2,(H,29,30)(H,31,32)/t15-,16-/m0/s1
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n/an/a 24n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185291
PNG
(US10011588, Example 108 | US10689373, Example 108 ...)
Show SMILES Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H21F3N6O/c1-13-11-14(21(22,23)24)12-25-19(13)28-16-6-4-7-17(16)29-20(31)15-5-2-3-8-18(15)30-26-9-10-27-30/h2-3,5,8-12,16-17H,4,6-7H2,1H3,(H,25,28)(H,29,31)/t16-,17-/m0/s1
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n/an/a 24n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185328
PNG
(US10011588, Example 149 | US10689373, Example 149 ...)
Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1nc(C)no1)C(F)(F)F |r|
Show InChI InChI=1S/C22H23F3N6O2/c1-3-15-19(26-11-18(28-15)22(23,24)25)29-16-9-6-10-17(16)30-20(32)13-7-4-5-8-14(13)21-27-12(2)31-33-21/h4-5,7-8,11,16-17H,3,6,9-10H2,1-2H3,(H,26,29)(H,30,32)/t16-,17-/m0/s1
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n/an/a 25n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185337
PNG
(US10011588, Example 159 | US10689373, Example 159 ...)
Show SMILES Cc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H20F3N7O/c1-12-18(28-11-16(29-12)21(22,23)24)30-14-6-2-7-15(14)31-20(32)17-13(5-3-8-25-17)19-26-9-4-10-27-19/h3-5,8-11,14-15H,2,6-7H2,1H3,(H,28,30)(H,31,32)/t14-,15-/m0/s1
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n/an/a 25n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185290
PNG
(US10011588, Example 107 | US10689373, Example 107 ...)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(Br)c1 |r|
Show InChI InChI=1S/C20H18BrF3N6O/c21-14-10-12(20(22,23)24)11-25-18(14)28-15-5-3-6-16(15)29-19(31)13-4-1-2-7-17(13)30-26-8-9-27-30/h1-2,4,7-11,15-16H,3,5-6H2,(H,25,28)(H,29,31)/t15-,16-/m0/s1
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n/an/a 27n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185277
PNG
(US10011588, Example 94 | US10689373, Example 94 | ...)
Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N7O/c1-19(29-18-24-11-13(12-25-18)20(21,22)23)8-4-7-16(19)28-17(31)14-5-2-3-6-15(14)30-26-9-10-27-30/h2-3,5-6,9-12,16H,4,7-8H2,1H3,(H,28,31)(H,24,25,29)
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n/an/a 28n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185330
PNG
(US10011588, Example 151 | US10689373, Example 151 ...)
Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H23F3N6O/c1-2-16-21(29-13-19(30-16)23(24,25)26)31-17-9-5-10-18(17)32-22(33)15-8-4-3-7-14(15)20-27-11-6-12-28-20/h3-4,6-8,11-13,17-18H,2,5,9-10H2,1H3,(H,29,31)(H,32,33)/t17-,18-/m0/s1
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n/an/a 29n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185338
PNG
(US10011588, Example 160 | US10689373, Example 160 ...)
Show SMILES Cc1nnc(o1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H21F3N6O2/c1-12-29-30-19(32-12)14-7-4-3-6-13(14)18(31)27-15-8-5-9-20(15,2)28-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,28)(H,27,31)/t15-,20-/m0/s1
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n/an/a 29n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185289
PNG
(US10011588, Example 106 | US10689373, Example 106 ...)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18ClF3N6O/c21-14-10-12(20(22,23)24)11-25-18(14)28-15-5-3-6-16(15)29-19(31)13-4-1-2-7-17(13)30-26-8-9-27-30/h1-2,4,7-11,15-16H,3,5-6H2,(H,25,28)(H,29,31)/t15-,16-/m0/s1
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n/an/a 29n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185317
PNG
(US10011588, Example 138 | US10689373, Example 138 ...)
Show SMILES Fc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F4N5O/c23-16-11-13(22(24,25)26)12-29-20(16)30-17-7-3-8-18(17)31-21(32)15-6-2-1-5-14(15)19-27-9-4-10-28-19/h1-2,4-6,9-12,17-18H,3,7-8H2,(H,29,30)(H,31,32)/t17-,18-/m0/s1
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n/an/a 30n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185216
PNG
(US10011588, Example 32 | US10689373, Example 32 | ...)
Show SMILES Fc1cccc(c1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(cn1)C(F)(F)F)-n1nccn1 |r|
Show InChI InChI=1S/C19H17F4N7O/c20-11-3-1-6-14(30-26-7-8-27-30)17(11)18(31)29-13-5-2-4-12(13)28-16-10-24-15(9-25-16)19(21,22)23/h1,3,6-10,12-13H,2,4-5H2,(H,25,28)(H,29,31)/t12-,13-/m0/s1
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n/an/a 32n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185318
PNG
(US10011588, Example 139 | US10689373, Example 139 ...)
Show SMILES Fc1ccc(-c2ncccn2)c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1ncc(cc1F)C(F)(F)F |r|
Show InChI InChI=1S/C22H18F5N5O/c23-13-5-6-14(19-28-7-2-8-29-19)15(10-13)21(33)32-18-4-1-3-17(18)31-20-16(24)9-12(11-30-20)22(25,26)27/h2,5-11,17-18H,1,3-4H2,(H,30,31)(H,32,33)/t17-,18-/m0/s1
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n/an/a 32n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185303
PNG
(US10011588, Example 122 | US10689373, Example 122 ...)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-n2nccn2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H17ClF3N7O/c20-12-9-11(19(21,22)23)10-25-17(12)28-13-3-1-4-14(13)29-18(31)16-15(5-2-6-24-16)30-26-7-8-27-30/h2,5-10,13-14H,1,3-4H2,(H,25,28)(H,29,31)/t13-,14-/m0/s1
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n/an/a 32n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185309
PNG
(US10011588, Example 129 | US10689373, Example 129 ...)
Show SMILES FC(F)(F)c1ccc(NC2CC(F)(F)CC2NC(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F5N6O/c21-19(22)9-14(29-17-6-5-12(11-26-17)20(23,24)25)15(10-19)30-18(32)13-3-1-2-4-16(13)31-27-7-8-28-31/h1-8,11,14-15H,9-10H2,(H,26,29)(H,30,32)
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n/an/a 33n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185260
PNG
(US10011588, Example 76 | US10689373, Example 76 | ...)
Show SMILES Cc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N8O/c1-11-17(24-10-15(27-11)19(20,21)22)28-12-4-2-5-13(12)29-18(31)16-14(6-3-7-23-16)30-25-8-9-26-30/h3,6-10,12-13H,2,4-5H2,1H3,(H,24,28)(H,29,31)/t12-,13-/m0/s1
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n/an/a 33n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185316
PNG
(US10011588, Example 137 | US10689373, Example 137 ...)
Show SMILES Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N6O/c1-13-11-14(22(23,24)25)12-29-19(13)30-16-6-2-7-17(16)31-21(32)18-15(5-3-8-26-18)20-27-9-4-10-28-20/h3-5,8-12,16-17H,2,6-7H2,1H3,(H,29,30)(H,31,32)/t16-,17-/m0/s1
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n/an/a 34n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185294
PNG
(US10011588, Example 111 | US10689373, Example 111 ...)
Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N7O/c1-2-14-19(25-12-18(28-14)21(22,23)24)29-15-7-5-8-16(15)30-20(32)13-6-3-4-9-17(13)31-26-10-11-27-31/h3-4,6,9-12,15-16H,2,5,7-8H2,1H3,(H,25,29)(H,30,32)/t15-,16-/m0/s1
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n/an/a 34n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185224
PNG
(US10011588, Example 40 | US10689373, Example 40 | ...)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2c(Cl)cccc2-n2nccn2)cn1 |r|
Show InChI InChI=1S/C19H17ClF3N7O/c20-11-3-1-6-14(30-26-7-8-27-30)17(11)18(31)29-13-5-2-4-12(13)28-16-10-24-15(9-25-16)19(21,22)23/h1,3,6-10,12-13H,2,4-5H2,(H,25,28)(H,29,31)/t12-,13-/m0/s1
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n/an/a 35n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185277
PNG
(US10011588, Example 94 | US10689373, Example 94 | ...)
Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N7O/c1-19(29-18-24-11-13(12-25-18)20(21,22)23)8-4-7-16(19)28-17(31)14-5-2-3-6-15(14)30-26-9-10-27-30/h2-3,5-6,9-12,16H,4,7-8H2,1H3,(H,28,31)(H,24,25,29)
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n/an/a 35n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185319
PNG
(US10011588, Example 140 | US10689373, Example 140 ...)
Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N[C@H]1CCC[C@@H]1Nc1ncc(cc1F)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F4N5O2/c1-11-27-20(32-30-11)14-6-3-2-5-13(14)19(31)29-17-8-4-7-16(17)28-18-15(22)9-12(10-26-18)21(23,24)25/h2-3,5-6,9-10,16-17H,4,7-8H2,1H3,(H,26,28)(H,29,31)/t16-,17-/m0/s1
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n/an/a 35n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185264
PNG
(US10011588, Example 80 | US10689373, Example 80 | ...)
Show SMILES Cc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N6O/c1-12-19(29-11-18(30-12)22(24,25)26)31-16-4-2-5-17(16)32-21(33)15-10-13(23)6-7-14(15)20-27-8-3-9-28-20/h3,6-11,16-17H,2,4-5H2,1H3,(H,29,31)(H,32,33)/t16-,17-/m0/s1
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n/an/a 35n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185263
PNG
(US10011588, Example 79 | US10689373, Example 79 | ...)
Show SMILES Cc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N6O/c1-13-19(28-12-18(29-13)22(23,24)25)30-16-8-4-9-17(16)31-21(32)15-7-3-2-6-14(15)20-26-10-5-11-27-20/h2-3,5-7,10-12,16-17H,4,8-9H2,1H3,(H,28,30)(H,31,32)/t16-,17-/m0/s1
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n/an/a 35n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185241
PNG
(US10011588, Example 57 | US10689373, Example 57 | ...)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2cc(ccc2-n2nccn2)C2CC2)cn1 |r|
Show InChI InChI=1S/C22H22F3N7O/c23-22(24,25)19-11-27-20(12-26-19)30-16-2-1-3-17(16)31-21(33)15-10-14(13-4-5-13)6-7-18(15)32-28-8-9-29-32/h6-13,16-17H,1-5H2,(H,27,30)(H,31,33)/t16-,17-/m0/s1
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n/an/a 38n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185312
PNG
(US10011588, Example 131 | US10689373, Example 131 ...)
Show SMILES FC(F)(F)Oc1ccc(N[C@H]2CC(F)(F)C[C@@H]2NC(=O)c2ccccc2-n2nccn2)nc1 |r|
Show InChI InChI=1S/C20H17F5N6O2/c21-19(22)9-14(29-17-6-5-12(11-26-17)33-20(23,24)25)15(10-19)30-18(32)13-3-1-2-4-16(13)31-27-7-8-28-31/h1-8,11,14-15H,9-10H2,(H,26,29)(H,30,32)/t14-,15-/m0/s1
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n/an/a 39n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM185288
PNG
(US10689373, Example 105 | US9156829, 105)
Show SMILES Fc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F4N6O/c21-14-10-12(20(22,23)24)11-25-18(14)28-15-5-3-6-16(15)29-19(31)13-4-1-2-7-17(13)30-26-8-9-27-30/h1-2,4,7-11,15-16H,3,5-6H2,(H,25,28)(H,29,31)/t15-,16-/m0/s1
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n/an/a 39n/an/an/an/an/a37



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...

US Patent US9156829 (2015)


BindingDB Entry DOI: 10.7270/Q2X9293X
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%