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Compile Data Set for Download or QSAR

Found 876 hits with Last Name = 'meng' and Initial = 'n'   
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 2


(Homo sapiens (Human))		BDBM426423
PNG
(1-(2-((2R,5R)-5-((3- (difluoromethyl)imidazo[1,2-a...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#C)Oc1nccn2c(cnc12)C(F)F |r|
Show InChI InChI=1S/C25H24F2N4O2/c1-3-25(10-11-25)19-7-5-4-6-18(19)24(32)31-15-17(9-8-16(31)2)33-23-22-29-14-20(21(26)27)30(22)13-12-28-23/h1,4-7,12-14,16-17,21H,8-11,15H2,2H3/t16-,17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401852
PNG
(2-{5-mMethyl-2-[(3R,6R)-6- methyl-1-{[2-(2,2,2- tr...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H26F3N5O3/c1-12-7-8-14(28-25-13(2)16(26-28)19(3,4)30)10-27(12)18(29)15-6-5-9-24-17(15)31-11-20(21,22)23/h5-6,9,12,14,30H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426469
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-((3-br...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccn2ncc(Br)c12 |r|
Show InChI InChI=1S/C21H20BrN7O2/c1-14-6-7-15(31-20-19-17(22)12-26-28(19)11-10-23-20)13-27(14)21(30)16-4-2-3-5-18(16)29-24-8-9-25-29/h2-5,8-12,14-15H,6-7,13H2,1H3/t14-,15-/m1/s1
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Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401808
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-(4-(2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C20H25N7O2/c1-14-8-9-15(26-23-12-18(24-26)20(2,3)29)13-25(14)19(28)16-6-4-5-7-17(16)27-21-10-11-22-27/h4-7,10-12,14-15,29H,8-9,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401853
PNG
(2-(2-{(3R,6R)-1-[(2- Ethoxyphenyl)carbonyl]-6- met...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N4O3/c1-6-28-18-10-8-7-9-17(18)20(26)24-13-16(12-11-14(24)2)25-22-15(3)19(23-25)21(4,5)27/h7-10,14,16,27H,6,11-13H2,1-5H3/t14-,16-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426387
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-2-methyl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccn2cc(C)nc12 |r|
Show InChI InChI=1S/C22H23N7O2/c1-15-13-27-12-11-23-21(20(27)26-15)31-17-8-7-16(2)28(14-17)22(30)18-5-3-4-6-19(18)29-24-9-10-25-29/h3-6,9-13,16-17H,7-8,14H2,1-2H3/t16-,17-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401805
PNG
(2-{2-[(3R,6R)-1-({2-[(1S)-2,2-difluorocyclopropyl]...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1[C@@H]1CC1(F)F)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C21H26F2N4O2/c1-13-8-9-14(27-24-11-18(25-27)20(2,3)29)12-26(13)19(28)16-7-5-4-6-15(16)17-10-21(17,22)23/h4-7,11,13-14,17,29H,8-10,12H2,1-3H3/t13-,14-,17+/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM404296
PNG
(1-[2-({(2R,5R)-5-[3-(1-Hydroxy- 1-methylethyl)isox...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C23H27N3O3/c1-15-8-9-16(19-12-20(25-29-19)22(2,3)28)13-26(15)21(27)17-6-4-5-7-18(17)23(14-24)10-11-23/h4-7,12,15-16,28H,8-11,13H2,1-3H3/t15-,16-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
n a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the...

US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401854
PNG
(2-(2-{(3R,6R)-1-[(2- Cyclopropylphenyl)carbonyl]-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1CC1)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C22H30N4O2/c1-14-9-12-17(26-23-15(2)20(24-26)22(3,4)28)13-25(14)21(27)19-8-6-5-7-18(19)16-10-11-16/h5-8,14,16-17,28H,9-13H2,1-4H3/t14-,17-/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401848
PNG
(2-{2-[(3R,6R)-1-{[2-(2,2- Difluoroethoxy)pyridin-3...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)F)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H27F2N5O3/c1-12-7-8-14(27-24-13(2)17(25-27)20(3,4)29)10-26(12)19(28)15-6-5-9-23-18(15)30-11-16(21)22/h5-6,9,12,14,16,29H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426414
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-((3-br...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccn2c(Br)cnc12 |r|
Show InChI InChI=1S/C21H20BrN7O2/c1-14-6-7-15(31-20-19-24-12-18(22)27(19)11-10-23-20)13-28(14)21(30)16-4-2-3-5-17(16)29-25-8-9-26-29/h2-5,8-12,14-15H,6-7,13H2,1H3/t14-,15-/m1/s1
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Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426407
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-((3-ch...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccn2c(Cl)cnc12 |r|
Show InChI InChI=1S/C21H20ClN7O2/c1-14-6-7-15(31-20-19-24-12-18(22)27(19)11-10-23-20)13-28(14)21(30)16-4-2-3-5-17(16)29-25-8-9-26-29/h2-5,8-12,14-15H,6-7,13H2,1H3/t14-,15-/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401855
PNG
(2-{5-Methyl-2-[(3R,6R)-6- methyl-1-{[2-(1H-pyrazol...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1cccn1)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C22H28N6O2/c1-15-10-11-17(28-24-16(2)20(25-28)22(3,4)30)14-26(15)21(29)18-8-5-6-9-19(18)27-13-7-12-23-27/h5-9,12-13,15,17,30H,10-11,14H2,1-4H3/t15-,17-/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401889
PNG
((2R)-1,1,1-Trifluoro-2-{1-[(3R,6R)-6-methyl-1-{[2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(cn1)[C@@](C)(O)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O2/c1-14-7-8-16(29-12-15(11-27-29)20(2,32)21(22,23)24)13-28(14)19(31)17-5-3-4-6-18(17)30-25-9-10-26-30/h3-6,9-12,14,16,32H,7-8,13H2,1-2H3/t14-,16-,20-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401869
PNG
(2-{1-[(3R,6R)-1-({2-[(1S)-2,2- Difluorocyclopropyl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1[C@@H]1CC1(F)F)n1cc(cn1)C(C)(C)O |r|
Show InChI InChI=1S/C22H27F2N3O2/c1-14-8-9-16(27-12-15(11-25-27)21(2,3)29)13-26(14)20(28)18-7-5-4-6-17(18)19-10-22(19,23)24/h4-7,11-12,14,16,19,29H,8-10,13H2,1-3H3/t14-,16-,19+/m1/s1
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University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM101857
PNG
(US9695163, 9)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(cs1)[C@@H](O)C(F)F |r|
Show InChI InChI=1S/C20H21F2N5O2S/c1-12-6-7-13(19-25-15(11-30-19)17(28)18(21)22)10-26(12)20(29)14-4-2-3-5-16(14)27-23-8-9-24-27/h2-5,8-9,11-13,17-18,28H,6-7,10H2,1H3/t12-,13-,17-/m1/s1
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US Patent
n/an/a 9.40n/an/an/an/an/a37



MERCK SHARP & DOHME CORP

US Patent


Assay Description
Briefly, for intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the orexin-1 receptor (e.g., rat or human) or the orexi...

US Patent US9695163 (2017)


BindingDB Entry DOI: 10.7270/Q22F7KK1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426409
PNG
(1-(2-((2R,5R)-5-((3- chloroimidazo[1,2-alpha] pyr...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)Oc1nccn2c(Cl)cnc12 |r|
Show InChI InChI=1S/C23H22ClN5O2/c1-15-6-7-16(31-21-20-27-12-19(24)28(20)11-10-26-21)13-29(15)22(30)17-4-2-3-5-18(17)23(14-25)8-9-23/h2-5,10-12,15-16H,6-9,13H2,1H3/t15-,16-/m1/s1
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Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401850
PNG
(2-{2-[(3R,6R)-1-{[2- (Difluoromethoxy)phenyl] carb...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)F)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H26F2N4O3/c1-12-9-10-14(26-23-13(2)17(24-26)20(3,4)28)11-25(12)18(27)15-7-5-6-8-16(15)29-19(21)22/h5-8,12,14,19,28H,9-11H2,1-4H3/t12-,14-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426425
PNG
((2-(2H-tetrazol-2-yl)phenyl)((2R,5R)-5- ((3-(difl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Oc1nccn2c(cnc12)C(F)F |r|
Show InChI InChI=1S/C21H20F2N8O2/c1-13-6-7-14(33-20-19-25-10-17(18(22)23)29(19)9-8-24-20)11-30(13)21(32)15-4-2-3-5-16(15)31-27-12-26-28-31/h2-5,8-10,12-14,18H,6-7,11H2,1H3/t13-,14-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426451
PNG
((2-(2H-1,2,3-triazol-2-yl)thiophen-3-yl)((2R,5R)-2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)Oc1nccn2nccc12
Show InChI InChI=1S/C19H19N7O2S/c1-13-2-3-14(28-17-16-4-6-21-25(16)10-9-20-17)12-24(13)18(27)15-5-11-29-19(15)26-22-7-8-23-26/h4-11,13-14H,2-3,12H2,1H3/t13-,14-/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM360351
PNG
(US9828368, Example 13 | US9828368, Example 14 | US...)
Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H20BrN5O4/c1-12-7-8-13(18-24-16(17(21)30-18)20(28)29-2)11-25(12)19(27)14-5-3-4-6-15(14)26-22-9-10-23-26/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t12-,13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)


BindingDB Entry DOI: 10.7270/Q2JD503Z
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401851
PNG
(2-{5-Methyl-2-[(3R,6R)-6- methyl-1-{[2- (trifluoro...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H25F3N4O3/c1-12-9-10-14(27-24-13(2)17(25-27)19(3,4)29)11-26(12)18(28)15-7-5-6-8-16(15)30-20(21,22)23/h5-8,12,14,29H,9-11H2,1-4H3/t12-,14-/m1/s1
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n/an/a 10.1n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426386
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-(imida...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Sc1nccn2ccnc12 |r|
Show InChI InChI=1S/C21H21N7OS/c1-15-6-7-16(30-20-19-22-10-12-26(19)13-11-23-20)14-27(15)21(29)17-4-2-3-5-18(17)28-24-8-9-25-28/h2-5,8-13,15-16H,6-7,14H2,1H3/t15-,16-/m1/s1
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n/an/a 10.3n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426421
PNG
((2-(2H-1,2,3-triazol-2-yl)thiophen-3- yl)((2R,5R)-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)Oc1nccn2c(cnc12)C(F)F |r|
Show InChI InChI=1S/C20H19F2N7O2S/c1-12-2-3-13(31-18-17-24-10-15(16(21)22)27(17)8-7-23-18)11-28(12)19(30)14-4-9-32-20(14)29-25-5-6-26-29/h4-10,12-13,16H,2-3,11H2,1H3/t12-,13-/m1/s1
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n/an/a 10.5n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401890
PNG
(US10010539, 106)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(cn1)[C@](C)(O)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O2/c1-14-7-8-16(29-12-15(11-27-29)20(2,32)21(22,23)24)13-28(14)19(31)17-5-3-4-6-18(17)30-25-9-10-26-30/h3-6,9-12,14,16,32H,7-8,13H2,1-2H3/t14-,16-,20+/m1/s1
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n/an/a 10.6n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360364
PNG
(US9828368, Example 25)
Show SMILES C[C@@H]1CCC(CN1C(=O)c1ccsc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O |r|
Show InChI InChI=1S/C20H25N5O3S/c1-12-5-6-14(17-23-16(13(2)28-17)20(3,4)27)11-24(12)18(26)15-7-10-29-19(15)25-21-8-9-22-25/h7-10,12,14,27H,5-6,11H2,1-4H3/t12-,14?/m1/s1
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n/an/a 10.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

US Patent US9828368 (2017)


BindingDB Entry DOI: 10.7270/Q2JD503Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM404309
PNG
(((1R)-2,2,2-Trifluoro-1-{5-[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-12-6-7-13(17-10-15(26-31-17)18(29)20(21,22)23)11-27(12)19(30)14-4-2-3-5-16(14)28-24-8-9-25-28/h2-5,8-10,12-13,18,29H,6-7,11H2,1H3/t12-,13-,18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
n a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the...

US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360376
PNG
(US9828368, Example 35)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O |r|
Show InChI InChI=1S/C20H25N5O3S/c1-12-5-6-14(18-23-17(13(2)28-18)20(3,4)27)9-24(12)19(26)15-10-29-11-16(15)25-21-7-8-22-25/h7-8,10-12,14,27H,5-6,9H2,1-4H3/t12-,14-/m1/s1
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n/an/a 11.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

US Patent US9828368 (2017)


BindingDB Entry DOI: 10.7270/Q2JD503Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM101899
PNG
(US9695163, 25)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1nc(c(C)s1)C(C)(C)O |r|
Show InChI InChI=1S/C24H29N3O2S/c1-15-9-10-17(21-26-20(16(2)30-21)23(3,4)29)13-27(15)22(28)18-7-5-6-8-19(18)24(14-25)11-12-24/h5-8,15,17,29H,9-13H2,1-4H3/t15-,17-/m1/s1
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n/an/a 12n/an/an/an/an/a37



MERCK SHARP & DOHME CORP

US Patent


Assay Description
Briefly, for intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the orexin-1 receptor (e.g., rat or human) or the orexi...

US Patent US9695163 (2017)


BindingDB Entry DOI: 10.7270/Q22F7KK1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM101883
PNG
(US9695163, 20)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1nc(c(C)s1)C(C)(C)O |r|
Show InChI InChI=1S/C20H25N5O2S2/c1-12-5-6-14(17-23-16(13(2)29-17)20(3,4)27)11-24(12)18(26)15-7-10-28-19(15)25-21-8-9-22-25/h7-10,12,14,27H,5-6,11H2,1-4H3/t12-,14-/m1/s1
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n/an/a 12n/an/an/an/an/a37



MERCK SHARP & DOHME CORP

US Patent


Assay Description
Briefly, for intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the orexin-1 receptor (e.g., rat or human) or the orexi...

US Patent US9695163 (2017)


BindingDB Entry DOI: 10.7270/Q22F7KK1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360366
PNG
(US9828368, Example 27)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O |r|
Show InChI InChI=1S/C22H30N2O4/c1-6-27-18-10-8-7-9-17(18)21(25)24-13-16(12-11-14(24)2)20-23-19(15(3)28-20)22(4,5)26/h7-10,14,16,26H,6,11-13H2,1-5H3/t14-,16-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

US Patent US9828368 (2017)


BindingDB Entry DOI: 10.7270/Q2JD503Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426407
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-((3-ch...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccn2c(Cl)cnc12 |r|
Show InChI InChI=1S/C21H20ClN7O2/c1-14-6-7-15(31-20-19-24-12-18(22)27(19)11-10-23-20)13-28(14)21(30)16-4-2-3-5-17(16)29-25-8-9-26-29/h2-5,8-12,14-15H,6-7,13H2,1H3/t14-,15-/m1/s1
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n/an/a 12.1n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401802
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-tria...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23F3N4O3/c1-12-8-9-13(26-23-10-16(24-26)18(2,3)28)11-25(12)17(27)14-6-4-5-7-15(14)29-19(20,21)22/h4-7,10,12-13,28H,8-9,11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 12.1n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401846
PNG
(2-{5-Methyl-2-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-tr...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1nc(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C21H27N7O2/c1-14-9-10-16(27-24-15(2)19(25-27)21(3,4)30)13-26(14)20(29)17-7-5-6-8-18(17)28-22-11-12-23-28/h5-8,11-12,14,16,30H,9-10,13H2,1-4H3/t14-,16-/m1/s1
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n/an/a 12.5n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426413
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-((3-fl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccn2c(F)cnc12 |r|
Show InChI InChI=1S/C21H20FN7O2/c1-14-6-7-15(31-20-19-24-12-18(22)27(19)11-10-23-20)13-28(14)21(30)16-4-2-3-5-17(16)29-25-8-9-26-29/h2-5,8-12,14-15H,6-7,13H2,1H3/t14-,15-/m1/s1
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n/an/a 12.6n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360351
PNG
(US9828368, Example 13 | US9828368, Example 14 | US...)
Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H20BrN5O4/c1-12-7-8-13(18-24-16(17(21)30-18)20(28)29-2)11-25(12)19(27)14-5-3-4-6-15(14)26-22-9-10-23-26/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t12-,13-/m1/s1
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n/an/a 12.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

US Patent US9828368 (2017)


BindingDB Entry DOI: 10.7270/Q2JD503Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426440
PNG
(1-(2-((2R,5R)-2-methyl-5-((3- (trifluoromethyl)imi...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)Oc1nccn2c(cnc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H22F3N5O2/c1-15-6-7-16(34-21-20-30-12-19(24(25,26)27)31(20)11-10-29-21)13-32(15)22(33)17-4-2-3-5-18(17)23(14-28)8-9-23/h2-5,10-12,15-16H,6-9,13H2,1H3/t15-,16-/m1/s1
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Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM101911
PNG
(US9695163, 30)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1csc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C23H27N3O2S/c1-15-8-9-16(19-13-29-21(25-19)22(2,3)28)12-26(15)20(27)17-6-4-5-7-18(17)23(14-24)10-11-23/h4-7,13,15-16,28H,8-12H2,1-3H3/t15-,16-/m1/s1
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n/an/a 13n/an/an/an/an/a37



MERCK SHARP & DOHME CORP

US Patent


Assay Description
Briefly, for intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the orexin-1 receptor (e.g., rat or human) or the orexi...

US Patent US9695163 (2017)


BindingDB Entry DOI: 10.7270/Q22F7KK1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426414
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-((3-br...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccn2c(Br)cnc12 |r|
Show InChI InChI=1S/C21H20BrN7O2/c1-14-6-7-15(31-20-19-24-12-18(22)27(19)11-10-23-20)13-28(14)21(30)16-4-2-3-5-17(16)29-25-8-9-26-29/h2-5,8-12,14-15H,6-7,13H2,1H3/t14-,15-/m1/s1
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n/an/a 13.1n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426390
PNG
(1-(2-((2R,5R)-2-methyl-5-((2- methylimidazo[1,2-al...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)Oc1nccn2cc(C)nc12 |r|
Show InChI InChI=1S/C24H25N5O2/c1-16-13-28-12-11-26-22(21(28)27-16)31-18-8-7-17(2)29(14-18)23(30)19-5-3-4-6-20(19)24(15-25)9-10-24/h3-6,11-13,17-18H,7-10,14H2,1-2H3/t17-,18-/m1/s1
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n/an/a 13.2n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401888
PNG
(1,1,1-Trifluoro-2-{1-[(3R,6R)-6-methyl-1-{[2-(2H-1...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(cn1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O2/c1-14-7-8-16(29-12-15(11-27-29)20(2,32)21(22,23)24)13-28(14)19(31)17-5-3-4-6-18(17)30-25-9-10-26-30/h3-6,9-12,14,16,32H,7-8,13H2,1-2H3/t14-,16-,20?/m1/s1
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n/an/a 13.4n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50108616
PNG
(CHEMBL3597957 | US9828368, Example 24)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1nc(c(C)o1)C(C)(C)O |r|
Show InChI InChI=1S/C21H26N6O3/c1-13-9-10-15(19-24-18(14(2)30-19)21(3,4)29)11-26(13)20(28)16-7-5-6-8-17(16)27-23-12-22-25-27/h5-8,12-13,15,29H,9-11H2,1-4H3/t13-,15-/m1/s1
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n/an/a 13.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

US Patent US9828368 (2017)


BindingDB Entry DOI: 10.7270/Q2JD503Z
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401891
PNG
(2-{3-Methyl-1-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-tr...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(c(C)n1)C(C)(C)O |r|
Show InChI InChI=1S/C22H28N6O2/c1-15-9-10-17(27-14-19(16(2)25-27)22(3,4)30)13-26(15)21(29)18-7-5-6-8-20(18)28-23-11-12-24-28/h5-8,11-12,14-15,17,30H,9-10,13H2,1-4H3/t15-,17-/m1/s1
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n/an/a 13.8n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401784
PNG
(1-(2-((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C22H27N5O2/c1-15-8-9-16(27-24-12-19(25-27)21(2,3)29)13-26(15)20(28)17-6-4-5-7-18(17)22(14-23)10-11-22/h4-7,12,15-16,29H,8-11,13H2,1-3H3/t15-,16-/m1/s1
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n/an/a 13.8n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360356
PNG
(US9828368, Example 18 | US9828368, Example 19)
Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(C)=O |r|
Show InChI InChI=1S/C22H27N5O5/c1-4-32-22(31)19(15(3)28)25-20(29)16-10-9-14(2)26(13-16)21(30)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H,25,29)/t14-,16-,19?/m1/s1
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n/an/a 13.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...

US Patent US9828368 (2017)


BindingDB Entry DOI: 10.7270/Q2JD503Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426411
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-((3-ch...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1nccn2c(Cl)cnc12 |r|
Show InChI InChI=1S/C21H21ClN8O/c1-14-6-7-15(27-19-20-24-12-18(22)28(20)11-10-23-19)13-29(14)21(31)16-4-2-3-5-17(16)30-25-8-9-26-30/h2-5,8-12,14-15H,6-7,13H2,1H3,(H,23,27)/t14-,15-/m1/s1
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n/an/a 13.9n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM404327
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C21H25N5O2S/c1-14-8-9-15(17-12-19(29-24-17)21(2,3)28)13-25(14)20(27)16-6-4-5-7-18(16)26-22-10-11-23-26/h4-7,10-12,14-15,28H,8-9,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 13.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
n a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the...

US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50108614
PNG
(CHEMBL3597959 | US9695163, 19)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(c(C)s1)C(C)(C)O |r|
Show InChI InChI=1S/C22H27N5O2S/c1-14-9-10-16(20-25-19(15(2)30-20)22(3,4)29)13-26(14)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14,16,29H,9-10,13H2,1-4H3/t14-,16-/m1/s1
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n/an/a 14n/an/an/an/an/a37



MERCK SHARP & DOHME CORP

US Patent


Assay Description
Briefly, for intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the orexin-1 receptor (e.g., rat or human) or the orexi...

US Patent US9695163 (2017)


BindingDB Entry DOI: 10.7270/Q22F7KK1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50108615
PNG
(CHEMBL3597958 | US9695163, 35)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)c1csc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C19H23N5O2S2/c1-12-4-5-13(15-10-28-18(22-15)19(2,3)26)8-23(12)17(25)14-9-27-11-16(14)24-20-6-7-21-24/h6-7,9-13,26H,4-5,8H2,1-3H3/t12-,13-/m1/s1
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n/an/a 14n/an/an/an/an/a37



MERCK SHARP & DOHME CORP

US Patent


Assay Description
Briefly, for intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the orexin-1 receptor (e.g., rat or human) or the orexi...

US Patent US9695163 (2017)


BindingDB Entry DOI: 10.7270/Q22F7KK1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM426487
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-(imida...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccn2cncc12 |r|
Show InChI InChI=1S/C21H21N7O2/c1-15-6-7-16(30-20-19-12-22-14-26(19)11-10-23-20)13-27(15)21(29)17-4-2-3-5-18(17)28-24-8-9-25-28/h2-5,8-12,14-16H,6-7,13H2,1H3/t15-,16-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...

US Patent US10526336 (2020)


BindingDB Entry DOI: 10.7270/Q2PN981J
More data for this
Ligand-Target Pair
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