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Compile Data Set for Download or QSAR

Found 266 hits Enz. Inhib. hit(s) with all data for entry = 8827   
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))		BDBM386064
PNG
((2R,3S)-N-ethyl-2-(((cis-4- isopropylcyclohexyl)ox...)
Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C(C)C |r,wU:21.25,18.18,15.16,9.9,(-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;.67,-5.39,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-2,3.85,;-.67,3.08,;-4.67,3.85,;-6,3.08,;-4.67,5.39,)|
Show InChI InChI=1S/C19H37N3O4S/c1-5-20-19(23)22-12-6-7-17(21-27(4,24)25)18(22)13-26-16-10-8-15(9-11-16)14(2)3/h14-18,21H,5-13H2,1-4H3,(H,20,23)/t15-,16+,17-,18-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386065
PNG
(N-((2R,3S)-2-(((cis-4- phenylcyclohexyl)oxy)methyl...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:16.20,13.13,10.11,5.4,(6.99,-1.33,;5.9,-.24,;5.5,1.25,;6.99,.85,;4.41,-.64,;4.01,-2.12,;5.1,-3.21,;4.7,-4.7,;3.21,-5.1,;2.12,-4.01,;2.52,-2.52,;1.43,-1.43,;-.05,-1.83,;-1.14,-.74,;-2.63,-1.14,;-3.72,-.05,;-3.32,1.43,;-1.83,1.83,;-.74,.74,;-4.41,2.52,;-4.01,4.01,;-5.1,5.1,;-6.59,4.7,;-6.99,3.21,;-5.9,2.12,)|
Show InChI InChI=1S/C19H30N2O3S/c1-25(22,23)21-18-8-5-13-20-19(18)14-24-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,16-21H,5,8-14H2,1H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 540n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386066
PNG
(N-((2R,3S)-1-acetyl-2-(((cis-4- phenylcyclohexyl)o...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:19.23,16.16,13.14,7.7,(,-3.47,;1.33,-4.23,;1.33,-5.78,;2.67,-3.47,;4,-4.24,;5.33,-3.47,;5.33,-1.93,;4,-1.16,;4,.38,;5.33,1.15,;6.67,.38,;4.56,2.49,;6.1,2.49,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.46,;,2.69,;-4,3.46,;-4,5,;-5.33,5.78,;-6.67,5,;-6.67,3.46,;-5.33,2.69,)|
Show InChI InChI=1S/C21H32N2O4S/c1-16(24)23-14-6-9-20(22-28(2,25)26)21(23)15-27-19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-5,7-8,18-22H,6,9-15H2,1-2H3/t18-,19+,20-,21-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386067
PNG
(US10287305, Example 5 | US10508083, Example 191 | ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:20.24,17.17,14.15,8.8,(-1.33,-4.23,;,-3.47,;1.33,-4.23,;1.33,-5.78,;2.67,-3.47,;4,-4.24,;5.33,-3.47,;5.33,-1.93,;4,-1.16,;4,.38,;5.33,1.15,;6.67,.38,;4.56,2.49,;6.1,2.49,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.46,;,2.69,;-4,3.46,;-4,5,;-5.33,5.78,;-6.67,5,;-6.67,3.46,;-5.33,2.69,)|
Show InChI InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386068
PNG
(N-((2R,3S)-2-(((cis-4-(3,5- difluorophenyl)cyclohe...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1cc(F)cc(F)c1 |r,wU:16.20,13.13,10.11,5.4,(7.34,-1.16,;6,-.39,;5.23,.95,;6.77,.95,;4.67,-1.16,;4.67,-2.7,;6,-3.47,;6,-5.01,;4.67,-5.78,;3.33,-5.01,;3.33,-3.47,;2,-2.7,;2,-1.16,;.67,-.39,;-.67,-1.16,;-2,-.39,;-2,1.15,;-.67,1.92,;.67,1.15,;-3.33,1.92,;-4.67,1.15,;-6,1.92,;-7.34,1.15,;-6,3.46,;-4.67,4.24,;-4.67,5.78,;-3.33,3.46,)|
Show InChI InChI=1S/C19H28F2N2O3S/c1-27(24,25)23-18-3-2-8-22-19(18)12-26-17-6-4-13(5-7-17)14-9-15(20)11-16(21)10-14/h9-11,13,17-19,22-23H,2-8,12H2,1H3/t13-,17+,18-,19-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386069
PNG
(N-((2R,3S)-1-acetyl-2-(((cis-4- (3,5- difluorophen...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cc(F)cc(F)c1 |r,wU:19.23,16.16,13.14,7.7,(.67,-4.23,;2,-5,;2,-6.54,;3.33,-4.24,;4.67,-5.01,;6,-4.24,;6,-2.7,;4.67,-1.93,;4.67,-.39,;6,.38,;7.34,-.39,;5.23,1.72,;6.77,1.72,;3.33,-2.7,;2,-1.93,;2,-.39,;.67,.38,;-.67,-.39,;-2,.38,;-2,1.92,;-.67,2.69,;.67,1.92,;-3.33,2.69,;-4.67,1.92,;-6,2.69,;-7.34,1.92,;-6,4.23,;-4.67,5,;-4.67,6.54,;-3.33,4.23,)|
Show InChI InChI=1S/C21H30F2N2O4S/c1-14(26)25-9-3-4-20(24-30(2,27)28)21(25)13-29-19-7-5-15(6-8-19)16-10-17(22)12-18(23)11-16/h10-12,15,19-21,24H,3-9,13H2,1-2H3/t15-,19+,20-,21-/m0/s1
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n/an/an/an/a 5.60n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386070
PNG
(N-((2R,3S)-2-(((cis-4-(2,5- difluorophenyl)cyclohe...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1cc(F)ccc1F |r,wU:16.20,13.13,10.11,5.4,(7.34,-.39,;6,.38,;5.23,1.72,;6.77,1.72,;4.67,-.39,;4.67,-1.93,;6,-2.7,;6,-4.24,;4.67,-5.01,;3.33,-4.24,;3.33,-2.7,;2,-1.93,;2,-.39,;.67,.38,;-.67,-.39,;-2,.38,;-2,1.92,;-.67,2.69,;.67,1.92,;-3.33,2.69,;-4.67,1.92,;-6,2.69,;-7.34,1.92,;-6,4.23,;-4.67,5.01,;-3.33,4.23,;-2,5,)|
Show InChI InChI=1S/C19H28F2N2O3S/c1-27(24,25)23-18-3-2-10-22-19(18)12-26-15-7-4-13(5-8-15)16-11-14(20)6-9-17(16)21/h6,9,11,13,15,18-19,22-23H,2-5,7-8,10,12H2,1H3/t13-,15+,18-,19-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386071
PNG
(US10287305, Example 11 | US10508083, Example 11 | ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cc(F)ccc1F |r,wU:20.24,17.17,14.15,8.8,(-.67,-4.23,;.67,-3.47,;2,-4.23,;2,-5.78,;3.33,-3.47,;4.67,-4.24,;6,-3.47,;6,-1.93,;4.67,-1.16,;4.67,.38,;6,1.15,;7.34,.38,;5.23,2.49,;6.77,2.49,;3.33,-1.93,;2,-1.16,;2,.38,;.67,1.15,;-.67,.38,;-2,1.15,;-2,2.69,;-.67,3.46,;.67,2.69,;-3.33,3.46,;-4.67,2.69,;-6,3.46,;-7.34,2.69,;-6,5,;-4.67,5.78,;-3.33,5,;-2,5.77,)|
Show InChI InChI=1S/C21H30F2N2O5S/c1-29-21(26)25-11-3-4-19(24-31(2,27)28)20(25)13-30-16-8-5-14(6-9-16)17-12-15(22)7-10-18(17)23/h7,10,12,14,16,19-20,24H,3-6,8-9,11,13H2,1-2H3/t14-,16+,19-,20-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386072
PNG
(N-((2R,3S)-2-(((cis-4-(2,6- difluorophenyl)cyclohe...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1c(F)cccc1F |r,wU:16.20,13.13,10.11,5.4,(6.67,-.39,;5.33,.38,;4.56,1.72,;6.1,1.72,;4,-.39,;4,-1.93,;5.33,-2.7,;5.33,-4.24,;4,-5.01,;2.67,-4.24,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;,1.92,;-4,2.69,;-4,4.23,;-2.67,5,;-5.33,5.01,;-6.67,4.23,;-6.67,2.69,;-5.33,1.92,;-5.33,.39,)|
Show InChI InChI=1S/C19H28F2N2O3S/c1-27(24,25)23-17-6-3-11-22-18(17)12-26-14-9-7-13(8-10-14)19-15(20)4-2-5-16(19)21/h2,4-5,13-14,17-18,22-23H,3,6-12H2,1H3/t13-,14+,17-,18-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386073
PNG
(N-((2R, 3S)-1-acetyl-2-(((cis-4- (2,6- difluorophe...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1c(F)cccc1F |r,wU:19.23,16.16,13.14,7.7,(,-3.47,;1.33,-4.23,;1.33,-5.78,;2.67,-3.47,;4,-4.24,;5.33,-3.47,;5.33,-1.93,;4,-1.16,;4,.38,;5.33,1.15,;6.67,.38,;4.56,2.49,;6.1,2.49,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.46,;,2.69,;-4,3.46,;-5.33,2.69,;-5.33,1.15,;-6.67,3.46,;-6.67,5,;-5.33,5.78,;-4,5,;-2.67,5.77,)|
Show InChI InChI=1S/C21H30F2N2O4S/c1-14(26)25-12-4-7-19(24-30(2,27)28)20(25)13-29-16-10-8-15(9-11-16)21-17(22)5-3-6-18(21)23/h3,5-6,15-16,19-20,24H,4,7-13H2,1-2H3/t15-,16+,19-,20-/m0/s1
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n/an/an/an/a 6.60n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386074
PNG
(N-((2R,3S)-2-(((cis-4-(3- fluorophenyl)cyclohexyl)...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:16.20,13.13,10.11,5.4,(6.67,-1.16,;5.33,-.39,;4.56,.95,;6.1,.95,;4,-1.16,;4,-2.7,;5.33,-3.47,;5.33,-5.01,;4,-5.78,;2.67,-5.01,;2.67,-3.47,;1.33,-2.7,;1.33,-1.16,;,-.39,;-1.33,-1.16,;-2.67,-.39,;-2.67,1.15,;-1.33,1.92,;,1.15,;-4,1.92,;-5.33,1.15,;-6.67,1.92,;-6.67,3.46,;-5.33,4.24,;-5.33,5.78,;-4,3.46,)|
Show InChI InChI=1S/C19H29FN2O3S/c1-26(23,24)22-18-6-3-11-21-19(18)13-25-17-9-7-14(8-10-17)15-4-2-5-16(20)12-15/h2,4-5,12,14,17-19,21-22H,3,6-11,13H2,1H3/t14-,17+,18-,19-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386075
PNG
(N-((2R,3S)-1-(cyclopropylcarbonyl)- 2-(((cis-4-(3-...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1)C(=O)C1CC1 |r,wU:16.20,13.13,10.11,5.4,(6.67,-.39,;5.33,.38,;4.56,1.72,;6.1,1.72,;4,-.39,;4,-1.93,;5.33,-2.7,;5.33,-4.24,;4,-5.01,;2.67,-4.24,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,;1.33,-5,;1.33,-6.54,;,-4.23,;-.77,-2.9,;-1.54,-4.23,)|
Show InChI InChI=1S/C23H33FN2O4S/c1-31(28,29)25-21-6-3-13-26(23(27)17-7-8-17)22(21)15-30-20-11-9-16(10-12-20)18-4-2-5-19(24)14-18/h2,4-5,14,16-17,20-22,25H,3,6-13,15H2,1H3/t16-,20+,21-,22-/m0/s1
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n/an/an/an/a 0.840n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386076
PNG
(N-((2R,3S)-2-(((cis-4-(2,3- difluorophenyl)cyclohe...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1F |r,wU:16.20,13.13,10.11,5.4,(6.67,-1.16,;5.33,-.39,;4.56,.95,;6.1,.95,;4,-1.16,;4,-2.7,;5.33,-3.47,;5.33,-5.01,;4,-5.78,;2.67,-5.01,;2.67,-3.47,;1.33,-2.7,;1.33,-1.16,;,-.39,;-1.33,-1.16,;-2.67,-.39,;-2.67,1.15,;-1.33,1.92,;,1.15,;-4,1.92,;-5.33,1.15,;-6.67,1.92,;-6.67,3.46,;-5.33,4.24,;-5.33,5.78,;-4,3.46,;-2.67,4.23,)|
Show InChI InChI=1S/C19H28F2N2O3S/c1-27(24,25)23-17-6-3-11-22-18(17)12-26-14-9-7-13(8-10-14)15-4-2-5-16(20)19(15)21/h2,4-5,13-14,17-18,22-23H,3,6-12H2,1H3/t13-,14+,17-,18-/m0/s1
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n/an/an/an/a 520n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386077
PNG
(N-((2R,3S)-1-acetyl-2-(((cis-4- (2,3- difluorophen...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1F |r,wU:19.23,16.16,13.14,7.7,(1.33,-6.54,;1.33,-5,;,-4.23,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;4,-.39,;5.33,.38,;6.67,-.39,;4.56,1.72,;6.1,1.72,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,;-2.67,5,)|
Show InChI InChI=1S/C21H30F2N2O4S/c1-14(26)25-12-4-7-19(24-30(2,27)28)20(25)13-29-16-10-8-15(9-11-16)17-5-3-6-18(22)21(17)23/h3,5-6,15-16,19-20,24H,4,7-13H2,1-2H3/t15-,16+,19-,20-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386078
PNG
(US10287305, Example 20 | US10508083, Example 20 | ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1F |r,wU:20.24,17.17,14.15,8.8,(,-6.93,;1.33,-6.16,;1.33,-4.62,;,-3.85,;2.67,-3.85,;4,-4.62,;5.33,-3.85,;5.33,-2.31,;4,-1.54,;4,,;5.33,.77,;6.67,,;4.56,2.1,;6.1,2.1,;2.67,-2.31,;1.33,-1.54,;1.33,,;,.77,;-1.33,,;-2.67,.77,;-2.67,2.31,;-1.33,3.08,;,2.31,;-4,3.08,;-5.33,2.31,;-6.67,3.08,;-6.67,4.62,;-5.33,5.39,;-5.33,6.93,;-4,4.62,;-2.67,5.39,)|
Show InChI InChI=1S/C21H30F2N2O5S/c1-29-21(26)25-12-4-7-18(24-31(2,27)28)19(25)13-30-15-10-8-14(9-11-15)16-5-3-6-17(22)20(16)23/h3,5-6,14-15,18-19,24H,4,7-13H2,1-2H3/t14-,15+,18-,19-/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386079
PNG
(N-((2R,3S)-2-(((cis-4-(2,3,6- trifluorophenyl)cycl...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1c(F)ccc(F)c1F |r,wU:16.20,13.13,10.11,5.4,(6.67,-1.16,;5.33,-.39,;4.56,.95,;6.1,.95,;4,-1.16,;4,-2.7,;5.33,-3.47,;5.33,-5.01,;4,-5.78,;2.67,-5.01,;2.67,-3.47,;1.33,-2.7,;1.33,-1.16,;,-.39,;-1.33,-1.16,;-2.67,-.39,;-2.67,1.15,;-1.33,1.92,;,1.15,;-4,1.92,;-5.33,1.15,;-5.33,-.38,;-6.67,1.92,;-6.67,3.46,;-5.33,4.24,;-5.33,5.78,;-4,3.46,;-2.67,4.23,)|
Show InChI InChI=1S/C19H27F3N2O3S/c1-28(25,26)24-16-3-2-10-23-17(16)11-27-13-6-4-12(5-7-13)18-14(20)8-9-15(21)19(18)22/h8-9,12-13,16-17,23-24H,2-7,10-11H2,1H3/t12-,13+,16-,17-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386080
PNG
(N-((2R,3S)-1-acetyl-2-(((cis-4- (2,3,6- trifluorop...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1c(F)ccc(F)c1F |r,wU:19.23,16.16,13.14,7.7,(,-4.23,;1.33,-5,;1.33,-6.54,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;4,-.39,;5.33,.38,;6.67,-.39,;4.56,1.72,;6.1,1.72,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;,1.92,;-4,2.69,;-5.33,1.92,;-5.33,.38,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,;-2.67,5,)|
Show InChI InChI=1S/C21H29F3N2O4S/c1-13(27)26-11-3-4-18(25-31(2,28)29)19(26)12-30-15-7-5-14(6-8-15)20-16(22)9-10-17(23)21(20)24/h9-10,14-15,18-19,25H,3-8,11-12H2,1-2H3/t14-,15+,18-,19-/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386081
PNG
(N-((2R,3S)-2-(((cis-4-(2- (trifluoromethyl)phenyl)...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1C(F)(F)F |r,wU:16.20,13.13,10.11,5.4,(6.67,-1.15,;5.33,-.38,;4.56,.95,;6.1,.95,;4,-1.15,;4,-2.69,;5.33,-3.47,;5.33,-5,;4,-5.78,;2.67,-5,;2.67,-3.47,;1.33,-2.69,;1.33,-1.15,;,-.38,;-1.33,-1.15,;-2.67,-.38,;-2.67,1.15,;-1.33,1.93,;,1.15,;-4,1.93,;-5.33,1.15,;-6.67,1.93,;-6.67,3.47,;-5.33,4.24,;-4,3.47,;-2.67,4.23,;-1.33,3.47,;-2.67,5.78,;-1.33,5,)|
Show InChI InChI=1S/C20H29F3N2O3S/c1-29(26,27)25-18-7-4-12-24-19(18)13-28-15-10-8-14(9-11-15)16-5-2-3-6-17(16)20(21,22)23/h2-3,5-6,14-15,18-19,24-25H,4,7-13H2,1H3/t14-,15+,18-,19-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386082
PNG
(N-((2R,3S)-1-acetyl-2-(((cis-4-(2- (trifluoromethy...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1C(F)(F)F |r,wU:19.23,16.16,13.14,7.7,(,-4.23,;1.33,-5,;1.33,-6.54,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;4,-.39,;5.33,.38,;6.67,-.39,;4.56,1.72,;6.1,1.72,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,5.01,;-4,4.23,;-2.67,5,;-1.33,4.23,;-2.67,6.54,;-1.33,5.77,)|
Show InChI InChI=1S/C22H31F3N2O4S/c1-15(28)27-13-5-8-20(26-32(2,29)30)21(27)14-31-17-11-9-16(10-12-17)18-6-3-4-7-19(18)22(23,24)25/h3-4,6-7,16-17,20-21,26H,5,8-14H2,1-2H3/t16-,17+,20-,21-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386083
PNG
(N-((2R,3S)-2-(((cis-4-(2,3- difluorophenyl)cyclohe...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1F)C(=O)CO |r,wU:16.20,13.13,10.11,5.4,(6.67,-.39,;5.33,.38,;4.56,1.72,;6.1,1.72,;4,-.39,;4,-1.93,;5.33,-2.7,;5.33,-4.24,;4,-5.01,;2.67,-4.24,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,;-2.67,5,;1.33,-5,;1.33,-6.54,;,-4.23,;-1.33,-5,)|
Show InChI InChI=1S/C21H30F2N2O5S/c1-31(28,29)24-18-6-3-11-25(20(27)12-26)19(18)13-30-15-9-7-14(8-10-15)16-4-2-5-17(22)21(16)23/h2,4-5,14-15,18-19,24,26H,3,6-13H2,1H3/t14-,15+,18-,19-/m0/s1
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n/an/an/an/a 7.90n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386085
PNG
(N-((2R,3S)-2-(((cis-4-(2- methoxyphenyl)cyclohexyl...)
Show SMILES COc1ccccc1[C@@H]1CC[C@@H](CC1)OC[C@@H]1NCCC[C@@H]1NS(C)(=O)=O |r,wU:8.8,11.15,16.17,21.24,(-6.67,-.39,;-5.33,.39,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,5.01,;-4,4.23,;-4,2.69,;-2.67,1.92,;-2.67,.38,;-1.33,-.39,;,.38,;,1.92,;-1.33,2.69,;1.33,-.39,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;4,-.39,;5.33,.38,;6.67,-.39,;4.56,1.72,;6.1,1.72,)|
Show InChI InChI=1S/C20H32N2O4S/c1-25-20-8-4-3-6-17(20)15-9-11-16(12-10-15)26-14-19-18(7-5-13-21-19)22-27(2,23)24/h3-4,6,8,15-16,18-19,21-22H,5,7,9-14H2,1-2H3/t15-,16+,18-,19-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386086
PNG
(N-((2R,3S)-1-(cyclopropylcarbonyl)- 2-(((cis-4-(2-...)
Show SMILES COc1ccccc1[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)C1CC1)NS(C)(=O)=O |r,wU:8.8,11.15,16.17,17.30,(-1.33,5,;-2.67,5.77,;-4,5,;-5.33,5.78,;-6.67,5,;-6.67,3.46,;-5.33,2.69,;-4,3.46,;-2.67,2.69,;-2.67,1.15,;-1.33,.38,;,1.15,;,2.69,;-1.33,3.46,;1.33,.38,;1.33,-1.16,;2.67,-1.93,;4,-1.16,;5.33,-1.93,;5.33,-3.47,;4,-4.24,;2.67,-3.47,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-.77,-2.13,;-1.54,-3.47,;4,.38,;5.33,1.15,;6.67,.38,;4.56,2.49,;6.1,2.49,)|
Show InChI InChI=1S/C24H36N2O5S/c1-30-23-8-4-3-6-20(23)17-11-13-19(14-12-17)31-16-22-21(25-32(2,28)29)7-5-15-26(22)24(27)18-9-10-18/h3-4,6,8,17-19,21-22,25H,5,7,9-16H2,1-2H3/t17-,19+,21-,22-/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386087
PNG
(US10287305, Example 29 | US10508083, Example 29 | ...)
Show SMILES CC(C)OC(=O)N1CCC[C@H](NS(=O)(=O)N(C)C)[C@@H]1COC1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C21H36N6O5S/c1-16(2)32-21(28)27-12-5-7-18(24-33(29,30)25(3)4)19(27)15-31-17-8-13-26(14-9-17)20-22-10-6-11-23-20/h6,10-11,16-19,24H,5,7-9,12-15H2,1-4H3/t18-,19-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386088
PNG
((2R,3S)-N-ethyl-3- ((methylsulfonyl)amino)-2-(((ci...)
Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:21.25,18.18,15.16,9.9,(.93,-6.79,;1.33,-5.3,;.24,-4.21,;.64,-2.72,;-.45,-1.63,;2.12,-2.32,;3.21,-3.41,;4.7,-3.01,;5.1,-1.53,;4.01,-.44,;4.41,1.05,;5.9,1.45,;6.99,.36,;5.5,2.94,;6.99,2.54,;2.52,-.84,;1.43,.25,;-.05,-.15,;-1.14,.94,;-2.63,.54,;-3.72,1.63,;-3.32,3.12,;-1.83,3.52,;-.74,2.43,;-4.41,4.21,;-4.01,5.7,;-5.1,6.79,;-6.59,6.39,;-6.99,4.9,;-5.9,3.81,)|
Show InChI InChI=1S/C22H35N3O4S/c1-3-23-22(26)25-15-7-10-20(24-30(2,27)28)21(25)16-29-19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-6,8-9,18-21,24H,3,7,10-16H2,1-2H3,(H,23,26)/t18-,19+,20-,21-/m0/s1
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n/an/an/an/a 0.110n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386089
PNG
(N-((2R,3S)-1-(cyclopropylcarbonyl)- 2-(((cis-4- ph...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)C1CC1 |r,wU:13.13,10.11,5.4,16.20,(6.67,.38,;5.33,1.15,;4.56,2.49,;6.1,2.49,;4,.38,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;4,-4.23,;2.67,-3.47,;2.67,-1.93,;1.33,-1.15,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.47,;,2.69,;-4,3.47,;-4,5,;-5.33,5.78,;-6.67,5,;-6.67,3.47,;-5.33,2.69,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-.77,-2.13,;-1.54,-3.47,)|
Show InChI InChI=1S/C23H34N2O4S/c1-30(27,28)24-21-8-5-15-25(23(26)19-9-10-19)22(21)16-29-20-13-11-18(12-14-20)17-6-3-2-4-7-17/h2-4,6-7,18-22,24H,5,8-16H2,1H3/t18-,20+,21-,22-/m0/s1
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n/an/an/an/a 0.660n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386091
PNG
(US10287305, Example 32 | US10508083, Example 32 | ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1C(F)(F)F |r,wU:17.17,14.15,8.8,20.24,(-1.33,-5,;,-4.23,;1.33,-5,;1.33,-6.54,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;4,-.38,;5.33,.38,;6.67,-.38,;4.56,1.72,;6.1,1.72,;2.67,-2.69,;1.33,-1.93,;1.33,-.38,;,.38,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-4,4.23,;-2.67,5,;-1.33,4.23,;-2.67,6.54,;-1.33,5.78,)|
Show InChI InChI=1S/C22H31F3N2O5S/c1-31-21(28)27-13-5-8-19(26-33(2,29)30)20(27)14-32-16-11-9-15(10-12-16)17-6-3-4-7-18(17)22(23,24)25/h3-4,6-7,15-16,19-20,26H,5,8-14H2,1-2H3/t15-,16+,19-,20-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386094
PNG
(N-((2R,3S)-1-acetyl-2-(((cis-4- isopropylcyclohexy...)
Show SMILES CCS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)C(C)C)C(C)=O |r,wU:14.14,11.12,6.5,17.21,(6.67,1.54,;5.33,.77,;4,1.54,;3.23,2.87,;4.77,2.87,;2.67,.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-1.33,3.08,;-5.33,3.85,;-5.33,5.39,;-6.67,3.08,;,-3.85,;-1.33,-3.08,;,-5.39,)|
Show InChI InChI=1S/C19H36N2O4S/c1-5-26(23,24)20-18-7-6-12-21(15(4)22)19(18)13-25-17-10-8-16(9-11-17)14(2)3/h14,16-20H,5-13H2,1-4H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 68n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386095
PNG
(N-(cis-1-butyryl-2-(((cis-4- isopropylcyclohexyl)o...)
Show SMILES CCCC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C(C)C |r,wU:18.18,15.16,9.9,21.25,(-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;.67,-5.39,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-2,3.85,;-.67,3.08,;-4.67,3.85,;-4.67,5.39,;-6,3.08,)|
Show InChI InChI=1S/C20H38N2O4S/c1-5-7-20(23)22-13-6-8-18(21-27(4,24)25)19(22)14-26-17-11-9-16(10-12-17)15(2)3/h15-19,21H,5-14H2,1-4H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 93n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386096
PNG
(N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1S(C)(=O)=O)NS(C)(=O)=O |r,wU:6.9,11.11,12.22,3.2,(-4.67,5.29,;-4.67,3.75,;-6,2.98,;-3.33,2.98,;-3.33,1.44,;-2,.67,;-.67,1.44,;-.67,2.98,;-2,3.75,;.67,.67,;.67,-.87,;2,-1.64,;3.33,-.87,;4.67,-1.64,;4.67,-3.18,;3.33,-3.95,;2,-3.18,;.67,-3.95,;-.67,-3.18,;1.44,-5.29,;-.1,-5.29,;3.33,.67,;4.67,1.44,;6,.67,;3.9,2.77,;5.44,2.77,)|
Show InChI InChI=1S/C17H34N2O5S2/c1-13(2)14-7-9-15(10-8-14)24-12-17-16(18-25(3,20)21)6-5-11-19(17)26(4,22)23/h13-18H,5-12H2,1-4H3/t14-,15+,16-,17-/m0/s1
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n/an/an/an/a 880n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386097
PNG
(US10287305, Example 37 | US10508083, Example 37 | ...)
Show SMILES CCS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@@H]1CC[C@H](C)CC1)C(=O)Nc1ccccc1 |r,wU:14.14,11.12,6.5,17.18,(6,3.85,;4.67,3.08,;3.33,3.85,;2.56,5.18,;4.1,5.18,;2,3.08,;2,1.54,;3.33,.77,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;-2,5.39,;-3.33,6.16,;-4.67,5.39,;-6,6.16,;-4.67,3.85,;-3.33,3.08,;-.67,-1.54,;-2,-.77,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-3.33,-6.16,;-2,-5.39,)|
Show InChI InChI=1S/C22H35N3O4S/c1-3-30(27,28)24-20-10-7-15-25(22(26)23-18-8-5-4-6-9-18)21(20)16-29-19-13-11-17(2)12-14-19/h4-6,8-9,17,19-21,24H,3,7,10-16H2,1-2H3,(H,23,26)/t17-,19+,20-,21-/m0/s1
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n/an/an/an/a 880n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386100
PNG
(N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)N1CCCC1)NS(C)(=O)=O |r,wU:6.9,11.11,12.26,3.2,(-4.67,5.39,;-4.67,3.85,;-6,3.08,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-3.08,;-.67,-1.54,;-2.13,-1.06,;-3.04,-2.31,;-2.13,-3.56,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C21H39N3O4S/c1-16(2)17-8-10-18(11-9-17)28-15-20-19(22-29(3,26)27)7-6-14-24(20)21(25)23-12-4-5-13-23/h16-20,22H,4-15H2,1-3H3/t17-,18+,19-,20-/m0/s1
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n/an/an/an/a 940n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386101
PNG
(US10287305, Example 40 | US10508083, Example 40 | ...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)N(C)C)NS(C)(=O)=O |r,wU:6.9,11.11,12.23,3.2,(-4.67,5.39,;-4.67,3.85,;-6,3.08,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-3.08,;-2,-3.85,;-.67,-1.54,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C19H37N3O4S/c1-14(2)15-8-10-16(11-9-15)26-13-18-17(20-27(5,24)25)7-6-12-22(18)19(23)21(3)4/h14-18,20H,6-13H2,1-5H3/t15-,16+,17-,18-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386102
PNG
(US10287305, Example 42 | US10508083, Example 42 | ...)
Show SMILES CCOC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C(C)C |r,wU:18.18,15.16,9.9,21.25,(-2,-5.39,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;.67,-5.39,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-2,3.85,;-.67,3.08,;-4.67,3.85,;-4.67,5.39,;-6,3.08,)|
Show InChI InChI=1S/C19H36N2O5S/c1-5-25-19(22)21-12-6-7-17(20-27(4,23)24)18(21)13-26-16-10-8-15(9-11-16)14(2)3/h14-18,20H,5-13H2,1-4H3/t15-,16+,17-,18-/m0/s1
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n/an/an/an/a 210n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386103
PNG
(US10287305, Example 43 | US10508083, Example 43 | ...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)Oc1ccccc1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.28,(-6,3.47,;-4.67,4.23,;-4.67,5.78,;-3.33,3.47,;-3.33,1.93,;-2,1.15,;-.67,1.93,;-.67,3.47,;-2,4.23,;.67,1.15,;.67,-.38,;2,-1.15,;3.33,-.38,;4.67,-1.15,;4.67,-2.69,;3.33,-3.47,;2,-2.69,;.67,-3.47,;.67,-5,;-.67,-2.69,;-2,-3.47,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;3.33,1.15,;4.67,1.93,;6,1.15,;3.9,3.26,;5.44,3.26,)|
Show InChI InChI=1S/C23H36N2O5S/c1-17(2)18-11-13-19(14-12-18)29-16-22-21(24-31(3,27)28)10-7-15-25(22)23(26)30-20-8-5-4-6-9-20/h4-6,8-9,17-19,21-22,24H,7,10-16H2,1-3H3/t18-,19+,21-,22-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386104
PNG
(N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)COc1ccccc1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.29,(-6,4.62,;-4.67,5.39,;-4.67,6.93,;-3.33,4.62,;-3.33,3.08,;-2,2.31,;-.67,3.08,;-.67,4.62,;-2,5.39,;.67,2.31,;.67,.77,;2,,;3.33,.77,;4.67,,;4.67,-1.54,;3.33,-2.31,;2,-1.54,;.67,-2.31,;.67,-3.85,;-.67,-1.54,;-2,-2.31,;-2,-3.85,;-3.33,-4.62,;-3.33,-6.16,;-2,-6.93,;-.67,-6.16,;-.67,-4.62,;3.33,2.31,;4.67,3.08,;6,2.31,;3.9,4.41,;5.44,4.41,)|
Show InChI InChI=1S/C24H38N2O5S/c1-18(2)19-11-13-21(14-12-19)30-16-23-22(25-32(3,28)29)10-7-15-26(23)24(27)17-31-20-8-5-4-6-9-20/h4-6,8-9,18-19,21-23,25H,7,10-17H2,1-3H3/t19-,21+,22-,23-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386109
PNG
(N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES COCC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C(C)C |r,wU:21.25,18.18,15.16,9.9,(-2,-5.39,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;.67,-5.39,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-2,3.85,;-.67,3.08,;-4.67,3.85,;-6,3.08,;-4.67,5.39,)|
Show InChI InChI=1S/C19H36N2O5S/c1-14(2)15-7-9-16(10-8-15)26-12-18-17(20-27(4,23)24)6-5-11-21(18)19(22)13-25-3/h14-18,20H,5-13H2,1-4H3/t15-,16+,17-,18-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386110
PNG
(2-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)COC(C)=O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.25,(-6,3.47,;-4.67,4.23,;-4.67,5.78,;-3.33,3.47,;-3.33,1.93,;-2,1.15,;-.67,1.93,;-.67,3.47,;-2,4.23,;.67,1.15,;.67,-.38,;2,-1.15,;3.33,-.38,;4.67,-1.15,;4.67,-2.69,;3.33,-3.47,;2,-2.69,;.67,-3.47,;.67,-5,;-.67,-2.69,;-2,-3.47,;-2,-5,;-.67,-5.78,;-3.33,-5.78,;3.33,1.15,;4.67,1.93,;6,1.15,;3.9,3.26,;5.44,3.26,)|
Show InChI InChI=1S/C20H36N2O6S/c1-14(2)16-7-9-17(10-8-16)28-12-19-18(21-29(4,25)26)6-5-11-22(19)20(24)13-27-15(3)23/h14,16-19,21H,5-13H2,1-4H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386111
PNG
(N-(cis-1-(2,2-dimethylpropanoyl)-2- (((cis-4- isop...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)C(C)(C)C)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.24,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-3.08,;-.67,-1.54,;-2,-3.85,;-2,-2.31,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C21H40N2O4S/c1-15(2)16-9-11-17(12-10-16)27-14-19-18(22-28(6,25)26)8-7-13-23(19)20(24)21(3,4)5/h15-19,22H,7-14H2,1-6H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 980n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386112
PNG
(N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)CCc1ccccc1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.29,(-6,4.62,;-4.67,5.39,;-4.67,6.93,;-3.33,4.62,;-3.33,3.08,;-2,2.31,;-.67,3.08,;-.67,4.62,;-2,5.39,;.67,2.31,;.67,.77,;2,,;3.33,.77,;4.67,,;4.67,-1.54,;3.33,-2.31,;2,-1.54,;.67,-2.31,;.67,-3.85,;-.67,-1.54,;-2,-2.31,;-2,-3.85,;-3.33,-4.62,;-3.33,-6.16,;-2,-6.93,;-.67,-6.16,;-.67,-4.62,;3.33,2.31,;4.67,3.08,;6,2.31,;3.9,4.41,;5.44,4.41,)|
Show InChI InChI=1S/C25H40N2O4S/c1-19(2)21-12-14-22(15-13-21)31-18-24-23(26-32(3,29)30)10-7-17-27(24)25(28)16-11-20-8-5-4-6-9-20/h4-6,8-9,19,21-24,26H,7,10-18H2,1-3H3/t21-,22+,23-,24-/m0/s1
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n/an/an/an/a 4.10E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386114
PNG
(US10287305, Example 55 | US10508083, Example 55 | ...)
Show SMILES COC(=O)CCC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C(C)C |r,wU:24.28,21.21,18.19,12.12,(-3.33,-6.54,;-3.33,-5,;-2,-4.23,;-.67,-5,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;3.9,4.03,;5.44,4.03,;2,-.38,;.67,.38,;.67,1.93,;-.67,2.69,;-2,1.93,;-3.33,2.69,;-3.33,4.23,;-2,5,;-.67,4.23,;-4.67,5,;-6,4.23,;-4.67,6.54,)|
Show InChI InChI=1S/C21H38N2O6S/c1-15(2)16-7-9-17(10-8-16)29-14-19-18(22-30(4,26)27)6-5-13-23(19)20(24)11-12-21(25)28-3/h15-19,22H,5-14H2,1-4H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386115
PNG
(N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)C1CCOCC1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.27,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C22H40N2O5S/c1-16(2)17-6-8-19(9-7-17)29-15-21-20(23-30(3,26)27)5-4-12-24(21)22(25)18-10-13-28-14-11-18/h16-21,23H,4-15H2,1-3H3/t17-,19+,20-,21-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386116
PNG
(N-(cis-1-(cyclopropylsulfonyl)-2-(((cis- 4-isoprop...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1S(=O)(=O)C1CC1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.25,(-6,2.85,;-4.67,3.62,;-4.67,5.16,;-3.33,2.85,;-3.33,1.31,;-2,.54,;-.67,1.31,;-.67,2.85,;-2,3.62,;.67,.54,;.67,-1,;2,-1.77,;3.33,-1,;4.67,-1.77,;4.67,-3.31,;3.33,-4.08,;2,-3.31,;.67,-4.08,;-.42,-5.16,;1.76,-5.16,;-.67,-3.31,;-1.44,-1.97,;-2.21,-3.31,;3.33,.54,;4.67,1.31,;6,.54,;3.9,2.65,;5.44,2.65,)|
Show InChI InChI=1S/C19H36N2O5S2/c1-14(2)15-6-8-16(9-7-15)26-13-19-18(20-27(3,22)23)5-4-12-21(19)28(24,25)17-10-11-17/h14-20H,4-13H2,1-3H3/t15-,16+,18-,19-/m0/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386117
PNG
(N-(cis-1-((1,2-dimethyl-1H-imidazol-4- yl)sulfonyl...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1S(=O)(=O)c1cn(C)c(C)n1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.29,(-6,2.85,;-4.67,3.62,;-4.67,5.16,;-3.33,2.85,;-3.33,1.31,;-2,.54,;-.67,1.31,;-.67,2.85,;-2,3.62,;.67,.54,;.67,-1,;2,-1.77,;3.33,-1,;4.67,-1.77,;4.67,-3.31,;3.33,-4.08,;2,-3.31,;.67,-4.08,;-.42,-5.16,;1.76,-5.16,;-.67,-3.31,;-2.13,-3.78,;-3.04,-2.54,;-4.58,-2.54,;-2.13,-1.29,;-2.53,.2,;-.67,-1.77,;3.33,.54,;4.67,1.31,;6,.54,;3.9,2.65,;5.44,2.65,)|
Show InChI InChI=1S/C21H38N4O5S2/c1-15(2)17-8-10-18(11-9-17)30-14-20-19(23-31(5,26)27)7-6-12-25(20)32(28,29)21-13-24(4)16(3)22-21/h13,15,17-20,23H,6-12,14H2,1-5H3/t17-,18+,19-,20-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386118
PNG
(N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1S(=O)(=O)c1cccnc1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.28,(-6,2.85,;-4.67,3.62,;-4.67,5.16,;-3.33,2.85,;-3.33,1.31,;-2,.54,;-.67,1.31,;-.67,2.85,;-2,3.62,;.67,.54,;.67,-1,;2,-1.77,;3.33,-1,;4.67,-1.77,;4.67,-3.31,;3.33,-4.08,;2,-3.31,;.67,-4.08,;-.42,-5.16,;1.76,-5.16,;-.67,-3.31,;-2,-4.08,;-3.33,-3.31,;-3.33,-1.77,;-2,-1,;-.67,-1.77,;3.33,.54,;4.67,1.31,;6,.54,;3.9,2.65,;5.44,2.65,)|
Show InChI InChI=1S/C21H35N3O5S2/c1-16(2)17-8-10-18(11-9-17)29-15-21-20(23-30(3,25)26)7-5-13-24(21)31(27,28)19-6-4-12-22-14-19/h4,6,12,14,16-18,20-21,23H,5,7-11,13,15H2,1-3H3/t17-,18+,20-,21-/m0/s1
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n/an/an/an/a 3.80E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386119
PNG
(N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1S(=O)(=O)c1cnn(C)c1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.28,(-6,2.85,;-4.67,3.62,;-4.67,5.16,;-3.33,2.85,;-3.33,1.31,;-2,.54,;-.67,1.31,;-.67,2.85,;-2,3.62,;.67,.54,;.67,-1,;2,-1.77,;3.33,-1,;4.67,-1.77,;4.67,-3.31,;3.33,-4.08,;2,-3.31,;.67,-4.08,;-.42,-5.16,;1.76,-5.16,;-.67,-3.31,;-.67,-1.77,;-2.13,-1.29,;-3.04,-2.54,;-4.58,-2.54,;-2.13,-3.78,;3.33,.54,;4.67,1.31,;6,.54,;3.9,2.65,;5.44,2.65,)|
Show InChI InChI=1S/C20H36N4O5S2/c1-15(2)16-7-9-17(10-8-16)29-14-20-19(22-30(4,25)26)6-5-11-24(20)31(27,28)18-12-21-23(3)13-18/h12-13,15-17,19-20,22H,5-11,14H2,1-4H3/t16-,17+,19-,20-/m0/s1
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n/an/an/an/a 910n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386120
PNG
(N-((2R,3S)-1-acetyl-2-(((cis-4- isopropylcyclohexy...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.21,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;-.67,-3.08,;.67,-5.39,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C18H34N2O4S/c1-13(2)15-7-9-16(10-8-15)24-12-18-17(19-25(4,22)23)6-5-11-20(18)14(3)21/h13,15-19H,5-12H2,1-4H3/t15-,16+,17-,18-/m0/s1
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n/an/an/an/a 97n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386121
PNG
(N-(cis-1-acetyl-2-(((1s,4s)-1,1'- bi(cyclohexyl)-4...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C1CCCCC1 |r,wU:19.23,16.16,13.14,7.7,(,-3.46,;1.33,-4.23,;1.33,-5.77,;2.67,-3.47,;4,-4.24,;5.33,-3.47,;5.33,-1.93,;4,-1.16,;4,.38,;5.33,1.15,;6.67,.38,;4.56,2.49,;6.1,2.49,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.46,;,2.69,;-4,3.46,;-4,5,;-5.33,5.77,;-6.67,5,;-6.67,3.46,;-5.33,2.69,)|
Show InChI InChI=1S/C21H38N2O4S/c1-16(24)23-14-6-9-20(22-28(2,25)26)21(23)15-27-19-12-10-18(11-13-19)17-7-4-3-5-8-17/h17-22H,3-15H2,1-2H3/t18-,19+,20-,21-/m0/s1
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n/an/an/an/a 4.30E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386122
PNG
(N-(cis-1-(3-hydroxypropanoyl)-2-(((cis- 4-isopropy...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)CCO)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.23,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C19H36N2O5S/c1-14(2)15-6-8-16(9-7-15)26-13-18-17(20-27(3,24)25)5-4-11-21(18)19(23)10-12-22/h14-18,20,22H,4-13H2,1-3H3/t15-,16+,17-,18-/m0/s1
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n/an/an/an/a 89n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386123
PNG
(N-(cis-1-(3-hydroxy-3-methylbutanoyl)- 2-(((cis-4-...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)CC(C)(C)O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.25,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-2,-5.39,;-3.33,-4.62,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C21H40N2O5S/c1-15(2)16-8-10-17(11-9-16)28-14-19-18(22-29(5,26)27)7-6-12-23(19)20(24)13-21(3,4)25/h15-19,22,25H,6-14H2,1-5H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 560n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386125
PNG
(N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)CCS(C)(=O)=O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.26,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,;-4.42,-1.99,;-2.25,-1.99,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C20H38N2O6S2/c1-15(2)16-7-9-17(10-8-16)28-14-19-18(21-30(4,26)27)6-5-12-22(19)20(23)11-13-29(3,24)25/h15-19,21H,5-14H2,1-4H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 750n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...

US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
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