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USPatent US10287305

Compile Data Set for Download or QSAR

Found 266 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Orexin receptor type 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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386130
PNG
(N'-(cis-1-acetyl-2-(((cis-4- isopropylcyclohexyl)o...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(=O)(=O)N(C)C |r,wU:3.2,6.9,11.11,12.21,(-6.67,3.08,;-5.33,3.85,;-5.33,5.39,;-4,3.08,;-4,1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,.77,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;,-3.85,;-1.33,-3.08,;,-5.39,;2.67,.77,;4,1.54,;3.23,2.87,;4.77,2.87,;5.33,.77,;6.67,1.54,;5.33,-.77,)|
Show InChI InChI=1S/C19H37N3O4S/c1-14(2)16-8-10-17(11-9-16)26-13-19-18(20-27(24,25)21(4)5)7-6-12-22(19)15(3)23/h14,16-20H,6-13H2,1-5H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 63n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386145
PNG
(US10287305, Example 98 | US10508083, Example 98 | ...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)NCC(F)(F)F)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,;-3.33,-1.54,;-4.67,-2.31,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C19H34F3N3O4S/c1-13(2)14-6-8-15(9-7-14)29-11-17-16(24-30(3,27)28)5-4-10-25(17)18(26)23-12-19(20,21)22/h13-17,24H,4-12H2,1-3H3,(H,23,26)/t14-,15+,16-,17-/m0/s1
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n/an/an/an/a 2.90n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386147
PNG
(US10287305, Example 100 | US10508083, Example 100 ...)
Show SMILES CCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C(C)C |r,wU:22.26,19.19,16.17,10.10,(-4.67,-3.85,;-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/C20H39N3O4S/c1-5-12-21-20(24)23-13-6-7-18(22-28(4,25)26)19(23)14-27-17-10-8-16(9-11-17)15(2)3/h15-19,22H,5-14H2,1-4H3,(H,21,24)/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386154
PNG
(N,N-dimethyl-N'-(cis-2-(((cis-4- phenylcyclohexyl)...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:18.22,15.15,12.13,7.6,(6,-1.92,;6,-.39,;7.34,.38,;4.67,.38,;3.9,1.72,;5.44,1.72,;3.33,-.39,;3.33,-1.93,;4.67,-2.7,;4.67,-4.24,;3.33,-5.01,;2,-4.24,;2,-2.7,;.67,-1.93,;.67,-.39,;-.67,.38,;-2,-.39,;-3.33,.38,;-3.33,1.92,;-2,2.69,;-.67,1.92,;-4.67,2.69,;-4.67,4.23,;-6,5.01,;-7.34,4.23,;-7.34,2.69,;-6,1.92,)|
Show InChI InChI=1S/C20H33N3O3S/c1-23(2)27(24,25)22-19-9-6-14-21-20(19)15-26-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1
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AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386155
PNG
(N'-(cis-1-acetyl-2-(((cis-4- phenylcyclohexyl)oxy)...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(C)=O |r,wU:18.22,15.15,12.13,7.6,(6,-1.15,;6,.38,;7.34,1.15,;4.67,1.15,;3.9,2.49,;5.44,2.49,;3.33,.38,;3.33,-1.16,;4.67,-1.93,;4.67,-3.47,;3.33,-4.24,;2,-3.47,;2,-1.93,;.67,-1.16,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-3.33,2.69,;-2,3.46,;-.67,2.69,;-4.67,3.46,;-4.67,5,;-6,5.78,;-7.34,5,;-7.34,3.46,;-6,2.69,;.67,-4.23,;-.67,-3.47,;.67,-5.78,)|
Show InChI InChI=1S/C22H35N3O4S/c1-17(26)25-15-7-10-21(23-30(27,28)24(2)3)22(25)16-29-20-13-11-19(12-14-20)18-8-5-4-6-9-18/h4-6,8-9,19-23H,7,10-16H2,1-3H3/t19-,20+,21-,22-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386177
PNG
(N-(cis-1-(difluoroacetyl)-2-(((cis- 4-phenylcycloh...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)C(F)F |r,wU:16.20,13.13,10.11,5.4,(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,.39,;-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,;-1.33,-4.23,;,-1.93,)|
Show InChI InChI=1S/C21H30F2N2O4S/c1-30(27,28)24-18-8-5-13-25(21(26)20(22)23)19(18)14-29-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,16-20,24H,5,8-14H2,1H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 31n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386187
PNG
(N-((2R,3S)-1-acetyl-2-(((cis-4-(3- fluorophenyl)cy...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:19.23,16.16,13.14,7.7,(,-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,;-5.33,6.54,;-4,4.23,)|
Show InChI InChI=1S/C21H31FN2O4S/c1-15(25)24-12-4-7-20(23-29(2,26)27)21(24)14-28-19-10-8-16(9-11-19)17-5-3-6-18(22)13-17/h3,5-6,13,16,19-21,23H,4,7-12,14H2,1-2H3/t16-,19+,20-,21-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386188
PNG
((2R,3S)-N-ethyl-2-(((cis-4-(3- fluorophenyl)cycloh...)
Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:21.25,18.18,15.16,9.9,(-2.67,-4.23,;-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,;-5.33,6.54,;-4,4.23,)|
Show InChI InChI=1S/C22H34FN3O4S/c1-3-24-22(27)26-13-5-8-20(25-31(2,28)29)21(26)15-30-19-11-9-16(10-12-19)17-6-4-7-18(23)14-17/h4,6-7,14,16,19-21,25H,3,5,8-13,15H2,1-2H3,(H,24,27)/t16-,19+,20-,21-/m0/s1
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n/an/an/an/a 0.0530n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386200
PNG
(US10287305, Example 159 | US10508083, Example 159 ...)
Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccn(C)n1 |r,wU:21.25,18.18,15.16,9.9,(-2.82,-3.98,;-1.48,-4.75,;-.15,-3.98,;1.18,-4.75,;1.18,-6.29,;2.52,-3.98,;3.85,-4.75,;5.19,-3.98,;5.19,-2.44,;3.85,-1.67,;3.85,-.13,;5.19,.64,;6.52,-.13,;4.42,1.97,;5.96,1.97,;2.52,-2.44,;1.18,-1.67,;1.18,-.13,;-.15,.64,;-1.48,-.13,;-2.82,.64,;-2.82,2.18,;-1.48,2.95,;-.15,2.18,;-4.15,2.95,;-5.61,2.47,;-6.52,3.72,;-5.61,4.96,;-6.38,6.29,;-4.15,4.49,)|
Show InChI InChI=1S/C20H35N5O4S/c1-4-21-20(26)25-12-5-6-18(23-30(3,27)28)19(25)14-29-16-9-7-15(8-10-16)17-11-13-24(2)22-17/h11,13,15-16,18-19,23H,4-10,12,14H2,1-3H3,(H,21,26)/t15-,16+,18-,19-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386206
PNG
(N-((2R,3S)-1-(cyanoacetyl)-2- (((cis-4- phenylcycl...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)CC#N |r,wU:16.20,13.13,10.11,5.4,(6.67,.38,;5.33,1.16,;4.56,2.49,;6.1,2.49,;4,.38,;4,-1.16,;5.33,-1.93,;5.33,-3.47,;4,-4.24,;2.67,-3.47,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;,1.16,;-1.33,.39,;-2.67,1.16,;-2.67,2.7,;-1.33,3.47,;,2.7,;-4,3.47,;-4,5.01,;-5.33,5.78,;-6.67,5.01,;-6.67,3.47,;-5.33,2.7,;1.33,-4.24,;1.33,-5.78,;,-3.47,;-1.33,-4.24,;-2.67,-5.01,)|
Show InChI InChI=1S/C22H31N3O4S/c1-30(27,28)24-20-8-5-15-25(22(26)13-14-23)21(20)16-29-19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,18-21,24H,5,8-13,15-16H2,1H3/t18-,19+,20-,21-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386213
PNG
(N-((2R,3S)-1-((1- cyanocyclopropyl)carbonyl)-2- ((...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)C1(CC1)C#N |r,wU:16.20,13.13,10.11,5.4,(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,.39,;-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,;-.77,-2.13,;-1.33,-4.23,;-2.67,-5,)|
Show InChI InChI=1S/C24H33N3O4S/c1-32(29,30)26-21-8-5-15-27(23(28)24(17-25)13-14-24)22(21)16-31-20-11-9-19(10-12-20)18-6-3-2-4-7-18/h2-4,6-7,19-22,26H,5,8-16H2,1H3/t19-,20+,21-,22-/m0/s1
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n/an/an/an/a 370n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386257
PNG
(US10287305, Example 215 | US10508083, Example 215 ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1c(F)cccc1F |r,wU:17.17,14.15,8.8,20.24,(-1.33,-4.23,;,-3.47,;1.33,-4.23,;1.33,-5.78,;2.67,-3.47,;4,-4.23,;5.33,-3.47,;5.33,-1.93,;4,-1.15,;4,.38,;5.33,1.15,;6.67,.38,;4.56,2.49,;6.1,2.49,;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,;-5.33,2.69,;-5.33,1.15,;-6.67,3.47,;-6.67,5,;-5.33,5.78,;-4,5,;-2.67,5.78,)|
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)20-16(22)5-3-6-17(20)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 2.5n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386797
PNG
(N-(cis-1-((2,2- difluorocyclopropyl)carbonyl)-2- (...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1COC1CCN(CC1)c1ccccc1F)C(=O)C1CC1(F)F |r|
Show InChI InChI=1S/C22H30F3N3O4S/c1-33(30,31)26-18-6-4-10-28(21(29)16-13-22(16,24)25)20(18)14-32-15-8-11-27(12-9-15)19-7-3-2-5-17(19)23/h2-3,5,7,15-16,18,20,26H,4,6,8-14H2,1H3/t16?,18-,20-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386799
PNG
(N-(cis-1-butyryl-2-(((1-(2- fluorophenyl)piperidin...)
Show SMILES CCCC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCN(CC1)c1ccccc1F |r|
Show InChI InChI=1S/C22H34FN3O4S/c1-3-7-22(27)26-13-6-9-19(24-31(2,28)29)21(26)16-30-17-11-14-25(15-12-17)20-10-5-4-8-18(20)23/h4-5,8,10,17,19,21,24H,3,6-7,9,11-16H2,1-2H3/t19-,21-/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386802
PNG
(N-(cis-2-(((1-(2- fluorophenyl)piperidin-4- yl)oxy...)
Show SMILES CC(C)CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCN(CC1)c1ccccc1F |r|
Show InChI InChI=1S/C23H36FN3O4S/c1-17(2)15-23(28)27-12-6-8-20(25-32(3,29)30)22(27)16-31-18-10-13-26(14-11-18)21-9-5-4-7-19(21)24/h4-5,7,9,17-18,20,22,25H,6,8,10-16H2,1-3H3/t20-,22-/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386806
PNG
(N-(cis-1-((4,4- difluorocyclohexyl)carbonyl)-2- ((...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1COC1CCN(CC1)c1ccccc1F)C(=O)C1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C25H36F3N3O4S/c1-36(33,34)29-21-6-4-14-31(24(32)18-8-12-25(27,28)13-9-18)23(21)17-35-19-10-15-30(16-11-19)22-7-3-2-5-20(22)26/h2-3,5,7,18-19,21,23,29H,4,6,8-17H2,1H3/t21-,23-/m0/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386816
PNG
(US10287305, Example 249 | US10508083, Example 249 ...)
Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1C(F)(F)F |r,wU:18.18,15.16,9.9,21.25,(-2.67,-4.23,;-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/C23H34F3N3O4S/c1-3-27-22(30)29-14-6-9-20(28-34(2,31)32)21(29)15-33-17-12-10-16(11-13-17)18-7-4-5-8-19(18)23(24,25)26/h4-5,7-8,16-17,20-21,28H,3,6,9-15H2,1-2H3,(H,27,30)/t16-,17+,20-,21-/m0/s1
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n/an/an/an/a 0.610n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386818
PNG
(N-(cis-1-(cyclopropylcarbonyl)-2- (((4-(pyridin-2-...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1COC1CCC(CC1)c1ccccn1)C(=O)C1CC1 |r,wU:10.11,5.4,(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,;,2.69,;-1.33,3.47,;-2.67,2.69,;-2.67,1.15,;-1.33,.38,;-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/C22H33N3O4S/c1-30(27,28)24-20-6-4-14-25(22(26)17-7-8-17)21(20)15-29-18-11-9-16(10-12-18)19-5-2-3-13-23-19/h2-3,5,13,16-18,20-21,24H,4,6-12,14-15H2,1H3/t16?,18?,20-,21-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386829
PNG
(US10287305, Example 266 | US10508083, Example 266 ...)
Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@@H]1C[C@H](Cc2ccccc2)C1 |r,wU:20.21,18.18,15.16,9.9,(-2.39,-2.08,;-1.06,-2.85,;.28,-2.08,;1.61,-2.85,;1.61,-4.39,;2.94,-2.08,;4.28,-2.85,;5.61,-2.08,;5.61,-.54,;4.28,.23,;4.28,1.77,;5.61,2.54,;6.94,1.77,;4.84,3.87,;6.38,3.87,;2.94,-.54,;1.61,.23,;1.61,1.77,;.28,2.54,;-.12,4.02,;-1.61,3.62,;-2.94,4.39,;-4.28,3.62,;-5.61,4.39,;-6.94,3.62,;-6.94,2.08,;-5.61,1.31,;-4.28,2.08,;-1.21,2.14,)|
Show InChI InChI=1S/C21H33N3O4S/c1-3-22-21(25)24-11-7-10-19(23-29(2,26)27)20(24)15-28-18-13-17(14-18)12-16-8-5-4-6-9-16/h4-6,8-9,17-20,23H,3,7,10-15H2,1-2H3,(H,22,25)/t17-,18+,19-,20-/m0/s1
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n/an/an/an/a 3.70E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386851
PNG
(US10287305, Example 295 | US10508083, Example 295 ...)
Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1OC(F)(F)F |r,wU:21.25,18.18,15.16,9.9,(-2.67,-5,;-1.33,-5.77,;,-5,;1.33,-5.77,;1.33,-7.31,;2.67,-5.01,;4,-5.78,;5.33,-5.01,;5.33,-3.47,;4,-2.69,;4,-1.15,;5.33,-.38,;6.67,-1.15,;4.56,.95,;6.1,.95,;2.67,-3.47,;1.33,-2.7,;1.33,-1.16,;,-.39,;-1.33,-1.15,;-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,;-5.33,4.23,;-4,3.46,;-2.67,4.23,;-2.67,5.77,;-1.33,6.54,;-4,6.54,;-2.67,7.31,)|
Show InChI InChI=1S/C23H34F3N3O5S/c1-3-27-22(30)29-14-6-8-19(28-35(2,31)32)20(29)15-33-17-12-10-16(11-13-17)18-7-4-5-9-21(18)34-23(24,25)26/h4-5,7,9,16-17,19-20,28H,3,6,8,10-15H2,1-2H3,(H,27,30)/t16-,17+,19-,20-/m0/s1
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n/an/an/an/a 4.20n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386861
PNG
(US10287305, Example 307 | US10508083, Example 307 ...)
Show SMILES CC(C)OC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1C[C@H](C1)c1ccccc1 |r,wU:19.19,16.17,10.10,21.24,(-3.06,-3.24,;-1.72,-4.01,;-1.72,-5.55,;-.39,-3.24,;.94,-4.01,;.94,-5.55,;2.28,-3.24,;3.61,-4.01,;4.94,-3.24,;4.94,-1.7,;3.61,-.93,;3.61,.61,;4.94,1.38,;6.28,.61,;4.17,2.71,;5.71,2.71,;2.28,-1.7,;.94,-.93,;.94,.61,;-.39,1.38,;-1.88,.98,;-2.28,2.47,;-.79,2.87,;-3.61,3.24,;-3.61,4.78,;-4.94,5.55,;-6.28,4.78,;-6.28,3.24,;-4.94,2.47,)|
Show InChI InChI=1S/C21H32N2O5S/c1-15(2)28-21(24)23-11-7-10-19(22-29(3,25)26)20(23)14-27-18-12-17(13-18)16-8-5-4-6-9-16/h4-6,8-9,15,17-20,22H,7,10-14H2,1-3H3/t17-,18+,19-,20-/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386864
PNG
(N'-((2R,3S)-1- (cyclopropylcarbonyl)-2-(((cis-4- p...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)C1CC1 |r,wU:18.22,15.15,12.13,7.6,(5.84,-2.42,;6.24,-.93,;7.73,-.53,;5.15,.16,;4.75,1.65,;6.24,1.25,;3.67,-.24,;3.27,-1.73,;4.36,-2.81,;3.96,-4.3,;2.47,-4.7,;1.38,-3.61,;1.78,-2.12,;.69,-1.04,;-.8,-1.43,;-1.89,-.35,;-3.37,-.74,;-4.46,.35,;-4.06,1.83,;-2.58,2.23,;-1.49,1.14,;-5.15,2.92,;-4.75,4.41,;-5.84,5.5,;-7.33,5.1,;-7.73,3.61,;-6.64,2.52,;-.11,-4.01,;-.51,-5.5,;-1.2,-2.92,;-2.68,-2.52,;-2.28,-4.01,)|
Show InChI InChI=1S/C24H37N3O4S/c1-26(2)32(29,30)25-22-9-6-16-27(24(28)20-10-11-20)23(22)17-31-21-14-12-19(13-15-21)18-7-4-3-5-8-18/h3-5,7-8,19-23,25H,6,9-17H2,1-2H3/t19-,21+,22-,23-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386878
PNG
(N-(cis-1-(cyclopropylcarbonyl)-2- (((4-(3,5-difluo...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1COC1CCC(F)(CC1)c1cc(F)cc(F)c1)C(=O)C1CC1 |r,wU:10.11,5.4,(7.34,-.38,;6,.39,;5.23,1.72,;6.77,1.72,;4.67,-.38,;4.67,-1.92,;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,-.38,;-2,.38,;-2,1.92,;-2,3.46,;-.67,2.69,;.67,1.92,;-3.33,2.69,;-3.33,4.23,;-4.67,5,;-4.67,6.54,;-6,4.23,;-6,2.69,;-7.34,1.92,;-4.67,1.92,;2,-5,;2,-6.54,;.67,-4.23,;-.1,-2.9,;-.87,-4.23,)|
Show InChI InChI=1S/C23H31F3N2O4S/c1-33(30,31)27-20-3-2-10-28(22(29)15-4-5-15)21(20)14-32-19-6-8-23(26,9-7-19)16-11-17(24)13-18(25)12-16/h11-13,15,19-21,27H,2-10,14H2,1H3/t19?,20-,21-,23?/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386882
PNG
(N-(cis-2-(((cis-4-(2- chlorophenyl)cyclohexyl)oxy)...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1Cl |r,wU:16.20,13.13,10.11,5.4,(6.67,-.38,;5.33,.39,;4.56,1.72,;6.1,1.72,;4,-.38,;4,-1.92,;5.33,-2.69,;5.33,-4.23,;4,-5,;2.67,-4.23,;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,)|
Show InChI InChI=1S/C19H29ClN2O3S/c1-26(23,24)22-18-7-4-12-21-19(18)13-25-15-10-8-14(9-11-15)16-5-2-3-6-17(16)20/h2-3,5-6,14-15,18-19,21-22H,4,7-13H2,1H3/t14-,15+,18-,19-/m0/s1
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n/an/an/an/a 610n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386884
PNG
(N-(cis-1-acetyl-2-(((cis-4-(2- chlorophenyl)cycloh...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1Cl |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,-1.15,;4,.39,;5.33,1.16,;6.67,.39,;4.56,2.49,;6.1,2.49,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;,1.15,;-1.33,.39,;-2.67,1.15,;-2.67,2.69,;-1.33,3.46,;,2.69,;-4,3.46,;-5.33,2.69,;-6.67,3.46,;-6.67,5,;-5.33,5.77,;-4,5,;-2.67,5.77,)|
Show InChI InChI=1S/C21H31ClN2O4S/c1-15(25)24-13-5-8-20(23-29(2,26)27)21(24)14-28-17-11-9-16(10-12-17)18-6-3-4-7-19(18)22/h3-4,6-7,16-17,20-21,23H,5,8-14H2,1-2H3/t16-,17+,20-,21-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386887
PNG
(US10287305, Example 338 | US10508083, Example 338 ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C20H30N2O5S/c1-26-20(23)22-12-6-9-18(21-28(2,24)25)19(22)14-27-17-11-10-16(13-17)15-7-4-3-5-8-15/h3-5,7-8,16-19,21H,6,9-14H2,1-2H3/t16?,17?,18-,19-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386893
PNG
(US10287305, Example 344 | US10508083, Example 344 ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccc(OC)cc1 |r,wU:20.24,17.17,14.15,8.8,(,-4.23,;1.33,-3.46,;2.67,-4.23,;2.67,-5.77,;4,-3.47,;5.33,-4.24,;6.67,-3.47,;6.67,-1.93,;5.33,-1.15,;5.33,.39,;6.67,1.16,;8,.39,;5.9,2.49,;7.44,2.49,;4,-1.93,;2.67,-1.16,;2.67,.38,;1.33,1.15,;,.39,;-1.33,1.15,;-1.33,2.69,;,3.46,;1.33,2.69,;-2.67,3.46,;-2.67,5,;-4,5.77,;-5.33,5,;-6.67,5.77,;-8,5,;-5.33,3.46,;-4,2.69,)|
Show InChI InChI=1S/C22H34N2O6S/c1-28-18-10-6-16(7-11-18)17-8-12-19(13-9-17)30-15-21-20(23-31(3,26)27)5-4-14-24(21)22(25)29-2/h6-7,10-11,17,19-21,23H,4-5,8-9,12-15H2,1-3H3/t17-,19+,20-,21-/m0/s1
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n/an/an/an/a 290n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386898
PNG
(N-(cis-2-(((cis-4- phenylcyclohexyl)oxy)methyl)- p...)
Show SMILES O=S(=O)(N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C1CC1 |r,wU:15.19,12.12,9.10,4.3,(3.79,1.72,;4.56,.39,;5.33,1.72,;3.23,-.38,;3.23,-1.92,;4.56,-2.69,;4.56,-4.23,;3.23,-5,;1.9,-4.23,;1.9,-2.69,;.56,-1.93,;.56,-.38,;-.77,.38,;-2.1,-.38,;-3.44,.38,;-3.44,1.93,;-2.1,2.69,;-.77,1.93,;-4.77,2.69,;-4.77,4.23,;-6.1,5,;-7.44,4.23,;-7.44,2.69,;-6.1,1.93,;5.9,-.38,;6.67,-1.72,;7.44,-.38,)|
Show InChI InChI=1S/C21H32N2O3S/c24-27(25,19-12-13-19)23-20-7-4-14-22-21(20)15-26-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,17-23H,4,7-15H2/t17-,18+,20-,21-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386901
PNG
(US10287305, Example 356 | US10508083, Example 356 ...)
Show SMILES CC(C)OC(=O)N1CCC[C@H](NS(=O)(=O)C2CC2)[C@@H]1COC1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C22H35N5O5S/c1-16(2)32-22(28)27-12-3-5-19(25-33(29,30)18-6-7-18)20(27)15-31-17-8-13-26(14-9-17)21-23-10-4-11-24-21/h4,10-11,16-20,25H,3,5-9,12-15H2,1-2H3/t19-,20-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
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



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386134
PNG
(N-((2R,3S)-2-(((cis-4- isopropylcyclohexyl)oxy)met...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)COc1ccn(C)n1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.29,(-5.38,3.08,;-4.05,3.85,;-4.05,5.39,;-2.71,3.08,;-2.71,1.54,;-1.38,.77,;-.05,1.54,;-.05,3.08,;-1.38,3.85,;1.29,.77,;1.29,-.77,;2.62,-1.54,;3.96,-.77,;5.29,-1.54,;5.29,-3.08,;3.96,-3.85,;2.62,-3.08,;1.29,-3.85,;1.29,-5.39,;-.05,-3.08,;-1.38,-3.85,;-2.71,-3.08,;-2.71,-1.54,;-4.18,-1.06,;-5.08,-2.31,;-6.62,-2.31,;-4.18,-3.56,;3.96,.77,;5.29,1.54,;6.62,.77,;4.52,2.87,;6.06,2.87,)|
Show InChI InChI=1S/C22H38N4O5S/c1-16(2)17-7-9-18(10-8-17)30-14-20-19(24-32(4,28)29)6-5-12-26(20)22(27)15-31-21-11-13-25(3)23-21/h11,13,16-20,24H,5-10,12,14-15H2,1-4H3/t17-,18+,19-,20-/m0/s1
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n/an/an/an/a 840n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386137
PNG
(N-((2R,3S)-2-(((cis-4- isopropylcyclohexyl)oxy)met...)
Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)C1CC(=O)C1)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,;-1.07,-1.59,;-2.55,-1.99,;-3.89,-1.22,;-2.15,-3.48,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)|
Show InChI InChI=1S/C21H36N2O5S/c1-14(2)15-6-8-18(9-7-15)28-13-20-19(22-29(3,26)27)5-4-10-23(20)21(25)16-11-17(24)12-16/h14-16,18-20,22H,4-13H2,1-3H3/t15-,18+,19-,20-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386148
PNG
(US10287305, Example 101 | US10508083, Example 101 ...)
Show SMILES CC(C)NC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C(C)C |r,wU:22.26,19.19,16.17,10.10,(-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-.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/C20H39N3O4S/c1-14(2)16-8-10-17(11-9-16)27-13-19-18(22-28(5,25)26)7-6-12-23(19)20(24)21-15(3)4/h14-19,22H,6-13H2,1-5H3,(H,21,24)/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386149
PNG
((2R,3S)-2-(((cis-4- isopropylcyclohexyl)oxy)methyl...)
Show SMILES CNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C(C)C |r,wU:20.24,17.17,14.15,8.8,(-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/C18H35N3O4S/c1-13(2)14-7-9-15(10-8-14)25-12-17-16(20-26(4,23)24)6-5-11-21(17)18(22)19-3/h13-17,20H,5-12H2,1-4H3,(H,19,22)/t14-,15+,16-,17-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386152
PNG
(N-(cis-1-acetyl-2-(((cis-4- (trifluoromethyl)cyclo...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C(F)(F)F |r,wU:19.23,16.16,13.14,7.7,(-.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,;-6,4.62,)|
Show InChI InChI=1S/C16H27F3N2O4S/c1-11(22)21-9-3-4-14(20-26(2,23)24)15(21)10-25-13-7-5-12(6-8-13)16(17,18)19/h12-15,20H,3-10H2,1-2H3/t12-,13+,14-,15-/m0/s1
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n/an/an/an/a 4.80E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386158
PNG
(N-(cis-1-acetyl-2-(((cis-3- phenylcyclobutyl)oxy)m...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1C[C@H](C1)c1ccccc1 |r,wU:18.21,16.16,13.14,7.7,(-.39,-3.24,;.94,-4.01,;.94,-5.55,;2.28,-3.24,;3.61,-4.01,;4.94,-3.24,;4.94,-1.7,;3.61,-.93,;3.61,.61,;4.94,1.38,;6.28,.61,;3.61,2.15,;6.03,2.47,;2.28,-1.7,;.94,-.93,;.94,.61,;-.39,1.38,;-1.88,.98,;-2.28,2.47,;-.79,2.87,;-3.61,3.24,;-3.61,4.78,;-4.94,5.55,;-6.28,4.78,;-6.28,3.24,;-4.94,2.47,)|
Show InChI InChI=1S/C19H28N2O4S/c1-14(22)21-10-6-9-18(20-26(2,23)24)19(21)13-25-17-11-16(12-17)15-7-4-3-5-8-15/h3-5,7-8,16-20H,6,9-13H2,1-2H3/t16-,17+,18-,19-/m0/s1
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n/an/an/an/a 3.50E+3n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386164
PNG
(N-(cis-1-(methoxyacetyl)-2-(((cis-4- phenylcyclohe...)
Show SMILES COCC(=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,(-2.67,-3.47,;-1.33,-4.23,;,-3.47,;1.33,-4.23,;1.33,-5.78,;2.67,-3.47,;4,-4.23,;5.33,-3.47,;5.33,-1.93,;4,-1.15,;4,.38,;5.33,1.15,;6.67,.38,;4.56,2.49,;6.1,2.49,;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,;-4,3.46,;-4,5,;-5.33,5.78,;-6.67,5,;-6.67,3.46,;-5.33,2.69,)|
Show InChI InChI=1S/C22H34N2O5S/c1-28-16-22(25)24-14-6-9-20(23-30(2,26)27)21(24)15-29-19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-5,7-8,18-21,23H,6,9-16H2,1-2H3/t18-,19+,20-,21-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386179
PNG
(N-(cis-1-acetyl-2-(((cis-4-(3,4- difluorophenyl)cy...)
Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccc(F)c(F)c1 |r,wU:19.23,16.16,13.14,7.7,(.67,-4.23,;2,-5,;2,-6.54,;3.33,-4.23,;4.67,-5,;6,-4.23,;6,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;7.34,-.38,;5.23,1.72,;6.77,1.72,;3.33,-2.69,;2,-1.93,;2,-.38,;.67,.38,;-.67,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;.67,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-6,4.23,;-7.34,5,;-4.67,5,;-4.67,6.54,;-3.33,4.23,)|
Show InChI InChI=1S/C21H30F2N2O4S/c1-14(26)25-11-3-4-20(24-30(2,27)28)21(25)13-29-17-8-5-15(6-9-17)16-7-10-18(22)19(23)12-16/h7,10,12,15,17,20-21,24H,3-6,8-9,11,13H2,1-2H3/t15-,17+,20-,21-/m0/s1
PDB

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AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM386189
PNG
(N-(cis-2-(((cis-4- phenylcyclohexyl)oxy)methyl)-1-...)
Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)[C@H]1CCOC1 |r,wU:16.20,13.13,10.11,27.29,5.4,(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,.39,;-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,;-1.46,-3.94,;-2.37,-2.69,;-1.46,-1.45,;,-1.93,)|
Show InChI InChI=1S/C24H36N2O5S/c1-32(28,29)25-22-8-5-14-26(24(27)20-13-15-30-16-20)23(22)17-31-21-11-9-19(10-12-21)18-6-3-2-4-7-18/h2-4,6-7,19-23,25H,5,8-17H2,1H3/t19-,20-,21+,22-,23-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
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n/an/an/an/a 25n/an/an/an/a



AstraZeneca



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 ...

J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%