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Compile Data Set for Download or QSAR

Found 237 hits of ic50 data for polymerid = 50006439,5450   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Orexin/Hypocretin receptor type 1


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401869
PNG
(2-{1-[(3R,6R)-1-({2-[(1S)-2,2- Difluorocyclopropyl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1[C@@H]1CC1(F)F)n1cc(cn1)C(C)(C)O |r|
Show InChI InChI=1S/C22H27F2N3O2/c1-14-8-9-16(27-12-15(11-25-27)21(2,3)29)13-26(14)20(28)18-7-5-4-6-17(18)19-10-22(19,23)24/h4-7,11-12,14,16,19,29H,8-10,13H2,1-3H3/t14-,16-,19+/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM50060937
PNG
(CHEMBL3394848)
Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H19F2N5O2/c24-23(25)11-14-29(22(31)17-6-2-4-8-19(17)30-26-12-13-27-30)15-20(23)32-21-10-9-16-5-1-3-7-18(16)28-21/h1-10,12-13,20H,11,14-15H2/t20-/m0/s1
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat OX1 receptor assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincubated for 5 mins prior to Ala-6,1...

Bioorg Med Chem Lett 26: 5809-5814 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.019
BindingDB Entry DOI: 10.7270/Q2MS3VRG
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401796
PNG
((2-(2,2-Difluoroethoxy)pyridin-3-yl)((2R,5R)-5-(4-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)F)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C19H25F2N5O3/c1-12-6-7-13(26-23-9-15(24-26)19(2,3)28)10-25(12)18(27)14-5-4-8-22-17(14)29-11-16(20)21/h4-5,8-9,12-13,16,28H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 14.3n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401789
PNG
((2-Cyclopropylphenyl)((2R,5R)-5- (4-(2-hydroxyprop...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1CC1)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H28N4O2/c1-14-8-11-16(25-22-12-19(23-25)21(2,3)27)13-24(14)20(26)18-7-5-4-6-17(18)15-9-10-15/h4-7,12,14-16,27H,8-11,13H2,1-3H3/t14-,16-/m1/s1
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n/an/a 14.9n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401801
PNG
((2-(2,2-Difluoroethoxy)phenyl)((2R,5R)-5-(4-(2-hyd...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OCC(F)F)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C20H26F2N4O3/c1-13-8-9-14(26-23-10-17(24-26)20(2,3)28)11-25(13)19(27)15-6-4-5-7-16(15)29-12-18(21)22/h4-7,10,13-14,18,28H,8-9,11-12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401849
PNG
(2-(2-{(3R,6R)-1-[(2- Ethoxypyridin-3-yl)carbonyl]-...)
Show SMILES CCOc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N5O3/c1-6-28-18-16(8-7-11-21-18)19(26)24-12-15(10-9-13(24)2)25-22-14(3)17(23-25)20(4,5)27/h7-8,11,13,15,27H,6,9-10,12H2,1-5H3/t13-,15-/m1/s1
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n/an/a 15.1n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401856
PNG
(2-{2-[(3R,6R)-1-{[4-Fluoro-2- (2H-1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H26FN7O2/c1-13-5-7-16(28-25-14(2)19(26-28)21(3,4)31)12-27(13)20(30)17-8-6-15(22)11-18(17)29-23-9-10-24-29/h6,8-11,13,16,31H,5,7,12H2,1-4H3/t13-,16-/m1/s1
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n/an/a 15.2n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401872
PNG
(2-{1-[(3R,6R)-6-Methyl-1-({2- [(trifluoromethyl)su...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1SC(F)(F)F)n1cc(cn1)C(C)(C)O |r|
Show InChI InChI=1S/C20H24F3N3O2S/c1-13-8-9-15(26-11-14(10-24-26)19(2,3)28)12-25(13)18(27)16-6-4-5-7-17(16)29-20(21,22)23/h4-7,10-11,13,15,28H,8-9,12H2,1-3H3/t13-,15-/m1/s1
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n/an/a 15.2n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401797
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-tria...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C19H24F3N5O3/c1-12-6-7-13(27-24-9-15(25-27)18(2,3)29)10-26(12)17(28)14-5-4-8-23-16(14)30-11-19(20,21)22/h4-5,8-9,12-13,29H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 15.9n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401787
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2- yl)-2H-1,2,3-tri...)
Show SMILES CCCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N4O2/c1-5-8-16-9-6-7-10-18(16)20(26)24-14-17(12-11-15(24)2)25-22-13-19(23-25)21(3,4)27/h6-7,9-10,13,15,17,27H,5,8,11-12,14H2,1-4H3/t15-,17-/m1/s1
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n/an/a 15.9n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401847
PNG
(2-{5-Methyl-2-[(3R,6R)-6-methyl-1-{[2-(1-methyleth...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)n1nc(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C21H31N5O3/c1-13(2)29-19-17(8-7-11-22-19)20(27)25-12-16(10-9-14(25)3)26-23-15(4)18(24-26)21(5,6)28/h7-8,11,13-14,16,28H,9-10,12H2,1-6H3/t14-,16-/m1/s1
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n/an/a 15.9n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM50203731
PNG
(CHEMBL3973097)
Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1nccc2[nH]cnc12 |r|
Show InChI InChI=1S/C21H17F2N5O2/c22-21(23)8-10-28(20(29)19-18-15(7-9-24-19)25-12-26-18)11-16(21)30-17-6-5-13-3-1-2-4-14(13)27-17/h1-7,9,12,16H,8,10-11H2,(H,25,26)/t16-/m0/s1
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PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat OX1 receptor assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincubated for 5 mins prior to Ala-6,1...

Bioorg Med Chem Lett 26: 5809-5814 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.019
BindingDB Entry DOI: 10.7270/Q2MS3VRG
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401800
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-tria...)
Show SMILES CC(C)Oc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C21H30N4O3/c1-14(2)28-18-9-7-6-8-17(18)20(26)24-13-16(11-10-15(24)3)25-22-12-19(23-25)21(4,5)27/h6-9,12,14-16,27H,10-11,13H2,1-5H3/t15-,16-/m1/s1
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n/an/a 16.1n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401785
PNG
(US10010539, 2 | [1,1'-Biphenyl]-2-yl((2R,5R)-5-(4-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ccccc1)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C24H28N4O2/c1-17-13-14-19(28-25-15-22(26-28)24(2,3)30)16-27(17)23(29)21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,15,17,19,30H,13-14,16H2,1-3H3/t17-,19-/m1/s1
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n/an/a 16.2n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401857
PNG
(2-(5-Methyl-2-{(3R,6R)-6- methyl-1-[(2-phenylpyrid...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1-c1ccccc1)n1nc(C)c(n1)C(C)(C)O |r|
Show InChI InChI=1S/C24H29N5O2/c1-16-12-13-19(29-26-17(2)22(27-29)24(3,4)31)15-28(16)23(30)20-11-8-14-25-21(20)18-9-6-5-7-10-18/h5-11,14,16,19,31H,12-13,15H2,1-4H3/t16-,19-/m1/s1
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n/an/a 17.4n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401810
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-2-methyl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1ncc(n1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C19H20F3N7O2/c1-12-6-7-13(28-25-10-15(26-28)17(30)19(20,21)22)11-27(12)18(31)14-4-2-3-5-16(14)29-23-8-9-24-29/h2-5,8-10,12-13,17,30H,6-7,11H2,1H3/t12-,13-,17-/m1/s1
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n/an/a 17.9n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401804
PNG
((2-(Difluoromethoxy)phenyl)((2R,5R)-5-(4-(2-hydrox...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)F)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C19H24F2N4O3/c1-12-8-9-13(25-22-10-16(23-25)19(2,3)27)11-24(12)17(26)14-6-4-5-7-15(14)28-18(20)21/h4-7,10,12-13,18,27H,8-9,11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM376840
PNG
(US9920038, 1)
Show SMILES Cc1oc(C[C@H]2CCCCN2C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
Show InChI InChI=1S/C22H27N5O3/c1-15-20(22(2,3)29)25-19(30-15)14-16-8-6-7-13-26(16)21(28)17-9-4-5-10-18(17)27-23-11-12-24-27/h4-5,9-12,16,29H,6-8,13-14H2,1-3H3/t16-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Montana State University



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

J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2VQ350T
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM401817
PNG
(2-{2-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3- triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C18H23N7O2S/c1-12-4-5-13(24-21-10-15(22-24)18(2,3)27)11-23(12)16(26)14-6-9-28-17(14)25-19-7-8-20-25/h6-10,12-13,27H,4-5,11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 18.4n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401875
PNG
(2-{1-[(3R,6R)-1-{[4-Fluoro-2-(2H- 1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)n1cc(cn1)C(C)(C)O |r|
Show InChI InChI=1S/C21H25FN6O2/c1-14-4-6-17(27-12-15(11-25-27)21(2,3)30)13-26(14)20(29)18-7-5-16(22)10-19(18)28-23-8-9-24-28/h5,7-12,14,17,30H,4,6,13H2,1-3H3/t14-,17-/m1/s1
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n/an/a 18.8n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401794
PNG
(2-{2-[(3R,6R)-6-Methyl-1-({2- [(trifluoromethyl)su...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1SC(F)(F)F)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C19H23F3N4O2S/c1-12-8-9-13(26-23-10-16(24-26)18(2,3)28)11-25(12)17(27)14-6-4-5-7-15(14)29-19(20,21)22/h4-7,10,12-13,28H,8-9,11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


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



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)


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


(Rattus norvegicus (Rat))		BDBM401859
PNG
(2-{1-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(cn1)C(C)(C)O
Show InChI InChI=1S/C21H26N6O2/c1-15-8-9-17(26-13-16(12-24-26)21(2,3)29)14-25(15)20(28)18-6-4-5-7-19(18)27-22-10-11-23-27/h4-7,10-13,15,17,29H,8-9,14H2,1-3H3/t15-,17-/m1/s1
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University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401799
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-tria...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OCC(F)(F)F)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C20H25F3N4O3/c1-13-8-9-14(27-24-10-17(25-27)19(2,3)29)11-26(13)18(28)15-6-4-5-7-16(15)30-12-20(21,22)23/h4-7,10,13-14,29H,8-9,11-12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 22.8n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401803
PNG
(Methyl 2-((2R,5R)-5-(4-(2-hydroxypropan-2-yl)-2H-1...)
Show SMILES COC(=O)c1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C20H26N4O4/c1-13-9-10-14(24-21-11-17(22-24)20(2,3)27)12-23(13)18(25)15-7-5-6-8-16(15)19(26)28-4/h5-8,11,13-14,27H,9-10,12H2,1-4H3/t13-,14-/m1/s1
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University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401862
PNG
(2-(1-{(3R,6R)-1-[(2- Cyclopropylphenyl)carbonyl]-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1CC1)n1cc(cn1)C(C)(C)O |r|
Show InChI InChI=1S/C22H29N3O2/c1-15-8-11-18(25-13-17(12-23-25)22(2,3)27)14-24(15)21(26)20-7-5-4-6-19(20)16-9-10-16/h4-7,12-13,15-16,18,27H,8-11,14H2,1-3H3/t15-,18-/m1/s1
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n/an/a 25.5n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401793
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2- yl)-2H-1,2,3-tri...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1-n1cc(C)cn1)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H27N7O2/c1-14-10-23-27(12-14)19-17(6-5-9-22-19)20(29)26-13-16(8-7-15(26)2)28-24-11-18(25-28)21(3,4)30/h5-6,9-12,15-16,30H,7-8,13H2,1-4H3/t15-,16-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401823
PNG
(2-{2-[(3R,6R)-1-{[4-fluoro-2-(2H-1,2,3- triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H24FN7O2/c1-13-4-6-15(27-24-11-18(25-27)20(2,3)30)12-26(13)19(29)16-7-5-14(21)10-17(16)28-22-8-9-23-28/h5,7-11,13,15,30H,4,6,12H2,1-3H3/t13-,15-/m1/s1
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n/an/a 27.1n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401822
PNG
(2-{2-[(3R,6R)-1-{[5-fluoro-2-(2H-1,2,3- triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-n1nccn1)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H24FN7O2/c1-13-4-6-15(27-24-11-18(25-27)20(2,3)30)12-26(13)19(29)16-10-14(21)5-7-17(16)28-22-8-9-23-28/h5,7-11,13,15,30H,4,6,12H2,1-3H3/t13-,15-/m1/s1
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University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401833
PNG
(2-(2-{(3R,6R)-6-methyl-1-[(2-pyrrolidin- 1-ylpheny...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1N1CCCC1)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C22H31N5O2/c1-16-10-11-17(27-23-14-20(24-27)22(2,3)29)15-26(16)21(28)18-8-4-5-9-19(18)25-12-6-7-13-25/h4-5,8-9,14,16-17,29H,6-7,10-13,15H2,1-3H3/t16-,17-/m1/s1
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n/an/a 29.1n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401792
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2- yl)-2H-1,2,3-tri...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1CC(F)(F)F)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H25F3N4O2/c1-13-8-9-15(27-24-11-17(25-27)19(2,3)29)12-26(13)18(28)16-7-5-4-6-14(16)10-20(21,22)23/h4-7,11,13,15,29H,8-10,12H2,1-3H3/t13-,15-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401837
PNG
(2-{2-[(3R,6R)-6-methyl-1-{[2-methyl-6- (2H-1,2,3-t...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(C)cccc1-n1nccn1)n1ncc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H27N7O2/c1-14-6-5-7-17(28-22-10-11-23-28)19(14)20(29)26-13-16(9-8-15(26)2)27-24-12-18(25-27)21(3,4)30/h5-7,10-12,15-16,30H,8-9,13H2,1-4H3/t15-,16-/m1/s1
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n/an/a 31.1n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


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


(Rattus norvegicus (Rat))		BDBM401795
PNG
((2-Ethoxyphenyl)((2R,5R)-5-(4-(2-hydroxypropan-2-y...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C20H28N4O3/c1-5-27-17-9-7-6-8-16(17)19(25)23-13-15(11-10-14(23)2)24-21-12-18(22-24)20(3,4)26/h6-9,12,14-15,26H,5,10-11,13H2,1-4H3/t14-,15-/m1/s1
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n/an/a 31.3n/an/an/an/an/an/a



University of Manchester



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

J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
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