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Patent code US9828368

Compile Data Set for Download or QSAR
Found 146 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 1 (OX1)


(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
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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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


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

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n/an/a 10.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


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

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360366
PNG
(US9828368, Example 27)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)C1=NC(C(C)=[O]1)C(C)(C)O
Show InChI InChI=1S/C22H31N2O4/c1-6-27-18-10-8-7-9-17(18)21(25)24-13-16(12-11-14(24)2)20-23-19(15(3)28-20)22(4,5)26/h7-10,14,16,19,26H,6,11-13H2,1-5H3/t14-,16-,19?/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360351
PNG
(US9828368, Example 13 | US9828368, Example 14 | US...)
Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
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
PDB

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n/an/a 12.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


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



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


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

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n/an/a 13.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360367
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H25F3N2O4/c1-12-9-10-14(18-25-17(13(2)29-18)20(3,4)28)11-26(12)19(27)15-7-5-6-8-16(15)30-21(22,23)24/h5-8,12,14,28H,9-11H2,1-4H3/t12-,14-/m1/s1
PDB

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n/an/a 14.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360382
PNG
(US9828368, Example 38)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)F)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H27F2N3O4/c1-12-7-8-14(18-25-17(13(2)30-18)21(3,4)28)10-26(12)20(27)15-6-5-9-24-19(15)29-11-16(22)23/h5-6,9,12,14,16,28H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360396
PNG
(US9828368, Example 48 | US9828368, Example 49)
Show SMILES CC[C@@](C)(O)c1nc(oc1C)C1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)17-14(3)29-18(24-17)15-7-6-13(2)25(12-15)19(27)16-8-11-30-20(16)26-22-9-10-23-26/h8-11,13,15,28H,5-7,12H2,1-4H3/t13-,15?,21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360845
PNG
(Cyclobutyl (2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R, ...)
Show SMILES C[C@@H]1CC[C@H](CN1[C](=O)(C1CCC1)c1ccccc1-n1nccn1)c1ncc(o1)C1CCC1
Show InChI InChI=1S/C26H32N5O2/c1-18-12-13-20(25-27-16-24(33-25)19-6-4-7-19)17-30(18)26(32,21-8-5-9-21)22-10-2-3-11-23(22)31-28-14-15-29-31/h2-3,10-11,14-16,18-21H,4-9,12-13,17H2,1H3/t18-,20-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360396
PNG
(US9828368, Example 48 | US9828368, Example 49)
Show SMILES CC[C@@](C)(O)c1nc(oc1C)C1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)17-14(3)29-18(24-17)15-7-6-13(2)25(12-15)19(27)16-8-11-30-20(16)26-22-9-10-23-26/h8-11,13,15,28H,5-7,12H2,1-4H3/t13-,15?,21-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360359
PNG
(US9828368, Example 20)
Show SMILES Cc1oc(nc1C(C)(C)O)[C@@H]1CCCN(C1)C(=O)c1ccccc1C1(CC1)C#N
Show InChI InChI=1S/C23H27N3O3/c1-15-19(22(2,3)28)25-20(29-15)16-7-6-12-26(13-16)21(27)17-8-4-5-9-18(17)23(14-24)10-11-23/h4-5,8-9,16,28H,6-7,10-13H2,1-3H3/t16-/m1/s1
PDB

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n/an/a 16.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360351
PNG
(US9828368, Example 13 | US9828368, Example 14 | US...)
Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
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
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360384
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H26F3N3O4/c1-12-7-8-14(17-26-16(13(2)31-17)20(3,4)29)10-27(12)19(28)15-6-5-9-25-18(15)30-11-21(22,23)24/h5-6,9,12,14,29H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM330343
PNG
(1-(3-{[(3R,6R)- 1-{[6-methoxy- 2-(2H-1,2,3- triazo...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cccc(c2)C(C)O)c(n1)-n1nccn1
Show InChI InChI=1S/C23H27N5O4/c1-15-7-8-19(32-18-6-4-5-17(13-18)16(2)29)14-27(15)23(30)20-9-10-21(31-3)26-22(20)28-24-11-12-25-28/h4-6,9-13,15-16,19,29H,7-8,14H2,1-3H3/t15-,16?,19-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360395
PNG
((4-(2H-1,2,3-triazol-2-yl)thiophen-3- yl)((2R,5R)-...)
Show SMILES CC[C@@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cscc1-n1nccn1
Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)18-14(3)29-19(24-18)15-7-6-13(2)25(10-15)20(27)16-11-30-12-17(16)26-22-8-9-23-26/h8-9,11-13,15,28H,5-7,10H2,1-4H3/t13-,15-,21-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360351
PNG
(US9828368, Example 13 | US9828368, Example 14 | US...)
Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
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
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360381
PNG
(US9828368, Example 37)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H26FN5O3/c1-13-5-6-15(20-26-19(14(2)31-20)22(3,4)30)12-27(13)21(29)17-8-7-16(23)11-18(17)28-24-9-10-25-28/h7-11,13,15,30H,5-6,12H2,1-4H3/t13-,15-/m1/s1
PDB

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n/an/a 19.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360368
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES CC(C)Oc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C23H32N2O4/c1-14(2)28-19-10-8-7-9-18(19)22(26)25-13-17(12-11-15(25)3)21-24-20(16(4)29-21)23(5,6)27/h7-10,14-15,17,27H,11-13H2,1-6H3/t15-,17-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(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
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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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360372
PNG
(US9828368, Example 33)
Show SMILES COC(=O)c1ccccc1C(=O)N1CC(CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H28N2O5/c1-13-10-11-15(19-23-18(14(2)29-19)22(3,4)27)12-24(13)20(25)16-8-6-7-9-17(16)21(26)28-5/h6-9,13,15,27H,10-12H2,1-5H3/t13-,15?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


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

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360391
PNG
(US9828368, Example 44 | US9828368, Example 45)
Show SMILES CC[C@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-5-23(4,30)20-16(3)31-21(26-20)17-11-10-15(2)27(14-17)22(29)18-8-6-7-9-19(18)28-24-12-13-25-28/h6-9,12-13,15,17,30H,5,10-11,14H2,1-4H3/t15-,17-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360369
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES COc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-13-10-11-15(19-22-18(14(2)27-19)21(3,4)25)12-23(13)20(24)16-8-6-7-9-17(16)26-5/h6-9,13,15,25H,10-12H2,1-5H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360385
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H31N3O4/c1-13(2)28-20-17(8-7-11-23-20)21(26)25-12-16(10-9-14(25)3)19-24-18(15(4)29-19)22(5,6)27/h7-8,11,13-14,16,27H,9-10,12H2,1-6H3/t14-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360390
PNG
(US9828368, Example 43)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)sc1-n1nccn1)c1nc(C)c(o1)C(C)(C)O
Show InChI InChI=1S/C21H27N5O3S/c1-12-6-7-15(18-24-14(3)17(29-18)21(4,5)28)11-25(12)19(27)16-10-13(2)30-20(16)26-22-8-9-23-26/h8-10,12,15,28H,6-7,11H2,1-5H3/t12-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360340
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-(4-(2-...)
Show SMILES CCc1ccccc1-c1coc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H27N5O2/c1-3-19-8-4-5-9-21(19)23-17-33-25(29-23)20-13-12-18(2)30(16-20)26(32)22-10-6-7-11-24(22)31-27-14-15-28-31/h4-11,14-15,17-18,20H,3,12-13,16H2,1-2H3/t18-,20-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360350
PNG
(US9828368, Example 12)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(Br)o1
Show InChI InChI=1S/C29H35BrN6O7/c1-17-12-13-18(16-34(17)24(37)19-10-8-9-11-20(19)36-31-14-15-32-36)23-33-21(22(30)41-23)25(38)35(26(39)42-28(2,3)4)27(40)43-29(5,6)7/h8-11,14-15,17-18H,12-13,16H2,1-7H3/t17-,18-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360432
PNG
(US9828368, Example 73)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)C(=O)NCC(=O)C(C)(C)C
Show InChI InChI=1S/C22H29N5O3/c1-15-9-10-16(20(29)23-13-19(28)22(2,3)4)14-26(15)21(30)17-7-5-6-8-18(17)27-24-11-12-25-27/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3,(H,23,29)/t15-,16-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360391
PNG
(US9828368, Example 44 | US9828368, Example 45)
Show SMILES CC[C@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-5-23(4,30)20-16(3)31-21(26-20)17-11-10-15(2)27(14-17)22(29)18-8-6-7-9-19(18)28-24-12-13-25-28/h6-9,12-13,15,17,30H,5,10-11,14H2,1-4H3/t15-,17-,23+/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360419
PNG
(US9828368, Example 67 | US9828368, Example 70)
Show SMILES COC(=O)Cc1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C27H27N5O4/c1-18-12-13-20(17-31(18)27(34)21-10-6-7-11-23(21)32-28-14-15-29-32)26-30-22(16-24(33)35-2)25(36-26)19-8-4-3-5-9-19/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360846
PNG
(US9828368, Example 76 | cyclopropyl (2-(2H-1,2,3-T...)
Show SMILES C[C@@H]1CC[C@H](CN1[C](=O)(C1CC1)c1ccccc1-n1nccn1)c1ncc(o1)C1CC1
Show InChI InChI=1S/C24H28N5O2/c1-16-6-7-18(23-25-14-22(31-23)17-8-9-17)15-28(16)24(30,19-10-11-19)20-4-2-3-5-21(20)29-26-12-13-27-29/h2-5,12-14,16-19H,6-11,15H2,1H3/t16-,18-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360394
PNG
((4-(2H-1,2,3-triazol-2-yl)thiophen-3- yl)((2R,5R)-...)
Show SMILES CC[C@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cscc1-n1nccn1
Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)18-14(3)29-19(24-18)15-7-6-13(2)25(10-15)20(27)16-11-30-12-17(16)26-22-8-9-23-26/h8-9,11-13,15,28H,5-7,10H2,1-4H3/t13-,15-,21+/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360419
PNG
(US9828368, Example 67 | US9828368, Example 70)
Show SMILES COC(=O)Cc1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C27H27N5O4/c1-18-12-13-20(17-31(18)27(34)21-10-6-7-11-23(21)32-28-14-15-29-32)26-30-22(16-24(33)35-2)25(36-26)19-8-4-3-5-9-19/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360355
PNG
(US9828368, Example 17)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)-c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-17-11-12-19(23-27-21(16-31-23)18-7-3-2-4-8-18)15-28(17)24(30)20-9-5-6-10-22(20)29-25-13-14-26-29/h2-10,13-14,16-17,19H,11-12,15H2,1H3/t17-,19-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360401
PNG
(US9828368, Example 54)
Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(O)(O)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O6/c1-3-36-20(33)17(21(34,35)22(23,24)25)28-18(31)14-9-8-13(2)29(12-14)19(32)15-6-4-5-7-16(15)30-26-10-11-27-30/h4-7,10-11,13-14,17,34-35H,3,8-9,12H2,1-2H3,(H,28,31)/t13-,14-,17?/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360365
PNG
(((2R, 5R)-5-(4-(2-Hydroxypropan-2- yl)-5-methyloxa...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H26N4O3S/c1-13-6-7-15(20-25-18(14(2)29-20)22(3,4)28)12-26(13)21(27)16-8-11-30-17(16)19-23-9-5-10-24-19/h5,8-11,13,15,28H,6-7,12H2,1-4H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360400
PNG
(US9828368, Example 53)
Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(=O)C(F)F
Show InChI InChI=1S/C22H25F2N5O5/c1-3-34-22(33)17(18(30)19(23)24)27-20(31)14-9-8-13(2)28(12-14)21(32)15-6-4-5-7-16(15)29-25-10-11-26-29/h4-7,10-11,13-14,17,19H,3,8-9,12H2,1-2H3,(H,27,31)/t13-,14-,17?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360340
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-(4-(2-...)
Show SMILES CCc1ccccc1-c1coc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H27N5O2/c1-3-19-8-4-5-9-21(19)23-17-33-25(29-23)20-13-12-18(2)30(16-20)26(32)22-10-6-7-11-24(22)31-27-14-15-28-31/h4-11,14-15,17-18,20H,3,12-13,16H2,1-2H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360339
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-(4- cy...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c1-14-6-7-16(20-24-18(13-28-20)15-8-9-15)12-25(14)21(27)17-4-2-3-5-19(17)26-22-10-11-23-26/h2-5,10-11,13-16H,6-9,12H2,1H3/t14-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360336
PNG
(US9828368, Example 2)
Show SMILES COC(=O)C1CC1c1coc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H25N5O4/c1-14-7-8-15(21-26-19(13-32-21)17-11-18(17)23(30)31-2)12-27(14)22(29)16-5-3-4-6-20(16)28-24-9-10-25-28/h3-6,9-10,13-15,17-18H,7-8,11-12H2,1-2H3/t14-,15-,17?,18?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360844
PNG
(Phenyl (2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R, 5R)-...)
Show SMILES C[C@@H]1CC[C@H](CN1[C](=O)(c1ccccc1)c1ccccc1-n1nccn1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C30H28N5O2/c1-22-16-17-24(29-31-20-28(37-29)23-10-4-2-5-11-23)21-34(22)30(36,25-12-6-3-7-13-25)26-14-8-9-15-27(26)35-32-18-19-33-35/h2-15,18-20,22,24H,16-17,21H2,1H3/t22-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360373
PNG
(US9828368, Example 34)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C24H28N4O3/c1-15-10-11-17(22-27-20(16(2)31-22)24(3,4)30)14-28(15)23(29)19-9-6-5-8-18(19)21-25-12-7-13-26-21/h5-9,12-13,15,17,30H,10-11,14H2,1-4H3/t15-,17-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360380
PNG
(US9828368, Example 36)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-c1ncccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H26N4O3S/c1-13-6-7-15(20-25-18(14(2)29-20)22(3,4)28)10-26(13)21(27)17-12-30-11-16(17)19-23-8-5-9-24-19/h5,8-9,11-13,15,28H,6-7,10H2,1-4H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360387
PNG
(US9828368, Example 41)
Show SMILES COCCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C23H32N2O4/c1-15-10-11-18(21-24-20(16(2)29-21)23(3,4)27)14-25(15)22(26)19-9-7-6-8-17(19)12-13-28-5/h6-9,15,18,27H,10-14H2,1-5H3/t15-,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360419
PNG
(US9828368, Example 67 | US9828368, Example 70)
Show SMILES COC(=O)Cc1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C27H27N5O4/c1-18-12-13-20(17-31(18)27(34)21-10-6-7-11-23(21)32-28-14-15-29-32)26-30-22(16-24(33)35-2)25(36-26)19-8-4-3-5-9-19/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360347
PNG
(US9828368, Example 10)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C#N)c(N)o1
Show InChI InChI=1S/C19H19N7O2/c1-12-6-7-13(18-24-15(10-20)17(21)28-18)11-25(12)19(27)14-4-2-3-5-16(14)26-22-8-9-23-26/h2-5,8-9,12-13H,6-7,11,21H2,1H3/t12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360845
PNG
(Cyclobutyl (2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R, ...)
Show SMILES C[C@@H]1CC[C@H](CN1[C](=O)(C1CCC1)c1ccccc1-n1nccn1)c1ncc(o1)C1CCC1
Show InChI InChI=1S/C26H32N5O2/c1-18-12-13-20(25-27-16-24(33-25)19-6-4-7-19)17-30(18)26(32,21-8-5-9-21)22-10-2-3-11-23(22)31-28-14-15-29-31/h2-3,10-11,14-16,18-21H,4-9,12-13,17H2,1H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360354
PNG
(US9828368, Example 16)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O2/c1-15-9-10-16(20-25-19(14-29-20)22(2,3)4)13-26(15)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14-16H,9-10,13H2,1-4H3/t15-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360429
PNG
(US9828368, Example 71)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(CCF)c(o1)-c1ccccc1
Show InChI InChI=1S/C26H26FN5O2/c1-18-11-12-20(25-30-22(13-14-27)24(34-25)19-7-3-2-4-8-19)17-31(18)26(33)21-9-5-6-10-23(21)32-28-15-16-29-32/h2-10,15-16,18,20H,11-14,17H2,1H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360420
PNG
(US9828368, Example 68)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(CC(C)(C)O)c(o1)-c1ccccc1
Show InChI InChI=1S/C28H31N5O3/c1-19-13-14-21(18-32(19)27(34)22-11-7-8-12-24(22)33-29-15-16-30-33)26-31-23(17-28(2,3)35)25(36-26)20-9-5-4-6-10-20/h4-12,15-16,19,21,35H,13-14,17-18H2,1-3H3/t19-,21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360402
PNG
(US9828368, Example 55)
Show SMILES CCOC(=O)c1oc(nc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H25N5O4/c1-4-30-22(29)19-15(3)25-20(31-19)16-10-9-14(2)26(13-16)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14,16H,4,9-10,13H2,1-3H3/t14-,16-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360414
PNG
(US9828368, Example 61)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C(O)=O)c(o1)-c1ccccc1
Show InChI InChI=1S/C25H23N5O4/c1-16-11-12-18(23-28-21(25(32)33)22(34-23)17-7-3-2-4-8-17)15-29(16)24(31)19-9-5-6-10-20(19)30-26-13-14-27-30/h2-10,13-14,16,18H,11-12,15H2,1H3,(H,32,33)/t16-,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360429
PNG
(US9828368, Example 71)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(CCF)c(o1)-c1ccccc1
Show InChI InChI=1S/C26H26FN5O2/c1-18-11-12-20(25-30-22(13-14-27)24(34-25)19-7-3-2-4-8-19)17-31(18)26(33)21-9-5-6-10-23(21)32-28-15-16-29-32/h2-10,15-16,18,20H,11-14,17H2,1H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360413
PNG
(US9828368, Example 60)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(c(o1)-c1ccccc1)C(C)(C)O
Show InChI InChI=1S/C27H29N5O3/c1-18-13-14-20(25-30-24(27(2,3)34)23(35-25)19-9-5-4-6-10-19)17-31(18)26(33)21-11-7-8-12-22(21)32-28-15-16-29-32/h4-12,15-16,18,20,34H,13-14,17H2,1-3H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360415
PNG
((2-(2H-1,2,3-triazol-2- yl)phenyl)((2R, 5R)-5-(4-(...)
Show SMILES CC(O)c1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H27N5O3/c1-17-12-13-20(25-29-23(18(2)32)24(34-25)19-8-4-3-5-9-19)16-30(17)26(33)21-10-6-7-11-22(21)31-27-14-15-28-31/h3-11,14-15,17-18,20,32H,12-13,16H2,1-2H3/t17-,18?,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360369
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES COc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-13-10-11-15(19-22-18(14(2)27-19)21(3,4)25)12-23(13)20(24)16-8-6-7-9-17(16)26-5/h6-9,13,15,25H,10-12H2,1-5H3/t13-,15-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360413
PNG
(US9828368, Example 60)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(c(o1)-c1ccccc1)C(C)(C)O
Show InChI InChI=1S/C27H29N5O3/c1-18-13-14-20(25-30-24(27(2,3)34)23(35-25)19-9-5-4-6-10-19)17-31(18)26(33)21-11-7-8-12-22(21)32-28-15-16-29-32/h4-12,15-16,18,20,34H,13-14,17H2,1-3H3/t18-,20-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360402
PNG
(US9828368, Example 55)
Show SMILES CCOC(=O)c1oc(nc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H25N5O4/c1-4-30-22(29)19-15(3)25-20(31-19)16-10-9-14(2)26(13-16)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14,16H,4,9-10,13H2,1-3H3/t14-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360346
PNG
(1-(3-{[(3S,6S)-1-{[6-methoxy-2-(2H-1,2,3-triazol-2...)
Show SMILES COc1ccc(C(=O)N2C[C@H](CC[C@@H]2C)Oc2cccc(c2)C(C)O)c(n1)-n1nccn1
Show InChI InChI=1S/C23H27N5O4/c1-15-7-8-19(32-18-6-4-5-17(13-18)16(2)29)14-27(15)23(30)20-9-10-21(31-3)26-22(20)28-24-11-12-25-28/h4-6,9-13,15-16,19,29H,7-8,14H2,1-3H3/t15-,16?,19-/m0/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360419
PNG
(US9828368, Example 67 | US9828368, Example 70)
Show SMILES COC(=O)Cc1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C27H27N5O4/c1-18-12-13-20(17-31(18)27(34)21-10-6-7-11-23(21)32-28-14-15-29-32)26-30-22(16-24(33)35-2)25(36-26)19-8-4-3-5-9-19/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360420
PNG
(US9828368, Example 68)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(CC(C)(C)O)c(o1)-c1ccccc1
Show InChI InChI=1S/C28H31N5O3/c1-19-13-14-21(18-32(19)27(34)22-11-7-8-12-24(22)33-29-15-16-30-33)26-31-23(17-28(2,3)35)25(36-26)20-9-5-4-6-10-20/h4-12,15-16,19,21,35H,13-14,17-18H2,1-3H3/t19-,21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360412
PNG
(US9828368, Example 59)
Show SMILES COCc1nc(oc1-c1ccccc1)C1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H27N5O3/c1-18-12-13-20(25-29-22(17-33-2)24(34-25)19-8-4-3-5-9-19)16-30(18)26(32)21-10-6-7-11-23(21)31-27-14-15-28-31/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360362
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan- 2-yl)-5-methyloxaz...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc2ccnn12)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H26N4O3/c1-13-8-9-15(19-23-18(14(2)28-19)21(3,4)27)12-24(13)20(26)17-7-5-6-16-10-11-22-25(16)17/h5-7,10-11,13,15,27H,8-9,12H2,1-4H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360844
PNG
(Phenyl (2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R, 5R)-...)
Show SMILES C[C@@H]1CC[C@H](CN1[C](=O)(c1ccccc1)c1ccccc1-n1nccn1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C30H28N5O2/c1-22-16-17-24(29-31-20-28(37-29)23-10-4-2-5-11-23)21-34(22)30(36,25-12-6-3-7-13-25)26-14-8-9-15-27(26)35-32-18-19-33-35/h2-15,18-20,22,24H,16-17,21H2,1H3/t22-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360389
PNG
(US9828368, Example 42)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cnsc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C19H24N6O3S/c1-11-5-6-13(16-23-15(12(2)28-16)19(3,4)27)10-24(11)17(26)14-9-22-29-18(14)25-20-7-8-21-25/h7-9,11,13,27H,5-6,10H2,1-4H3/t11-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360355
PNG
(US9828368, Example 17)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)-c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-17-11-12-19(23-27-21(16-31-23)18-7-3-2-4-8-18)15-28(17)24(30)20-9-5-6-10-22(20)29-25-13-14-26-29/h2-10,13-14,16-17,19H,11-12,15H2,1H3/t17-,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360415
PNG
((2-(2H-1,2,3-triazol-2- yl)phenyl)((2R, 5R)-5-(4-(...)
Show SMILES CC(O)c1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H27N5O3/c1-17-12-13-20(25-29-23(18(2)32)24(34-25)19-8-4-3-5-9-19)16-30(17)26(33)21-10-6-7-11-22(21)31-27-14-15-28-31/h3-11,14-15,17-18,20,32H,12-13,16H2,1-2H3/t17-,18?,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360415
PNG
((2-(2H-1,2,3-triazol-2- yl)phenyl)((2R, 5R)-5-(4-(...)
Show SMILES CC(O)c1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H27N5O3/c1-17-12-13-20(25-29-23(18(2)32)24(34-25)19-8-4-3-5-9-19)16-30(17)26(33)21-10-6-7-11-22(21)31-27-14-15-28-31/h3-11,14-15,17-18,20,32H,12-13,16H2,1-2H3/t17-,18?,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360334
PNG
(US9828368, Example 1)
Show SMILES C[C@@H]1CCC(CN1C(=O)c1ccccc1-n1nccn1)c1nc(Br)co1
Show InChI InChI=1S/C18H18BrN5O2/c1-12-6-7-13(17-22-16(19)11-26-17)10-23(12)18(25)14-4-2-3-5-15(14)24-20-8-9-21-24/h2-5,8-9,11-13H,6-7,10H2,1H3/t12-,13?/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360341
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R, 5R)-5-(4-(6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)-c1cccc(F)n1
Show InChI InChI=1S/C23H21FN6O2/c1-15-9-10-16(22-28-19(14-32-22)18-6-4-8-21(24)27-18)13-29(15)23(31)17-5-2-3-7-20(17)30-25-11-12-26-30/h2-8,11-12,14-16H,9-10,13H2,1H3/t15-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360432
PNG
(US9828368, Example 73)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)C(=O)NCC(=O)C(C)(C)C
Show InChI InChI=1S/C22H29N5O3/c1-15-9-10-16(20(29)23-13-19(28)22(2,3)4)14-26(15)21(30)17-7-5-6-8-18(17)27-24-11-12-25-27/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3,(H,23,29)/t15-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360415
PNG
((2-(2H-1,2,3-triazol-2- yl)phenyl)((2R, 5R)-5-(4-(...)
Show SMILES CC(O)c1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H27N5O3/c1-17-12-13-20(25-29-23(18(2)32)24(34-25)19-8-4-3-5-9-19)16-30(17)26(33)21-10-6-7-11-22(21)31-27-14-15-28-31/h3-11,14-15,17-18,20,32H,12-13,16H2,1-2H3/t17-,18?,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360411
PNG
(US9828368, Example 58)
Show SMILES C[C@@H]1CCC(CN1C(=O)c1ccccc1-n1nccn1)c1nc(CF)c(o1)-c1ccccc1
Show InChI InChI=1S/C25H24FN5O2/c1-17-11-12-19(24-29-21(15-26)23(33-24)18-7-3-2-4-8-18)16-30(17)25(32)20-9-5-6-10-22(20)31-27-13-14-28-31/h2-10,13-14,17,19H,11-12,15-16H2,1H3/t17-,19?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360371
PNG
((2-Chloro-5-isopropylthiazol-4-yl)((2R,5R)-5-(4- (...)
Show SMILES CC(C)c1sc(Cl)nc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C20H28ClN3O3S/c1-10(2)15-14(22-19(21)28-15)18(25)24-9-13(8-7-11(24)3)17-23-16(12(4)27-17)20(5,6)26/h10-11,13,26H,7-9H2,1-6H3/t11-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360414
PNG
(US9828368, Example 61)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C(O)=O)c(o1)-c1ccccc1
Show InChI InChI=1S/C25H23N5O4/c1-16-11-12-18(23-28-21(25(32)33)22(34-23)17-7-3-2-4-8-17)15-29(16)24(31)19-9-5-6-10-20(19)30-26-13-14-27-30/h2-10,13-14,16,18H,11-12,15H2,1H3,(H,32,33)/t16-,18-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360411
PNG
(US9828368, Example 58)
Show SMILES C[C@@H]1CCC(CN1C(=O)c1ccccc1-n1nccn1)c1nc(CF)c(o1)-c1ccccc1
Show InChI InChI=1S/C25H24FN5O2/c1-17-11-12-19(24-29-21(15-26)23(33-24)18-7-3-2-4-8-18)16-30(17)25(32)20-9-5-6-10-22(20)31-27-13-14-28-31/h2-10,13-14,17,19H,11-12,15-16H2,1H3/t17-,19?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360401
PNG
(US9828368, Example 54)
Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(O)(O)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O6/c1-3-36-20(33)17(21(34,35)22(23,24)25)28-18(31)14-9-8-13(2)29(12-14)19(32)15-6-4-5-7-16(15)30-26-10-11-27-30/h4-7,10-11,13-14,17,34-35H,3,8-9,12H2,1-2H3,(H,28,31)/t13-,14-,17?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360344
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-2- methy...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)-c1cccc(C)c1
Show InChI InChI=1S/C25H25N5O2/c1-17-6-5-7-19(14-17)22-16-32-24(28-22)20-11-10-18(2)29(15-20)25(31)21-8-3-4-9-23(21)30-26-12-13-27-30/h3-9,12-14,16,18,20H,10-11,15H2,1-2H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360398
PNG
(US9828368, Example 52)
Show SMILES CCOC(=O)c1nc(oc1Cl)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H22ClN5O4/c1-3-30-21(29)17-18(22)31-19(25-17)14-9-8-13(2)26(12-14)20(28)15-6-4-5-7-16(15)27-23-10-11-24-27/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3/t13-,14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360425
PNG
(US9828368, Example 69)
Show SMILES COC(C)(C)Cc1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C29H33N5O3/c1-20-14-15-22(19-33(20)28(35)23-12-8-9-13-25(23)34-30-16-17-31-34)27-32-24(18-29(2,3)36-4)26(37-27)21-10-6-5-7-11-21/h5-13,16-17,20,22H,14-15,18-19H2,1-4H3/t20-,22-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360354
PNG
(US9828368, Example 16)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O2/c1-15-9-10-16(20-25-19(14-29-20)22(2,3)4)13-26(15)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14-16H,9-10,13H2,1-4H3/t15-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360361
PNG
((2-Ethoxypyridin-3-yl)((2R,5R)- 5-(4-(2-hydroxypro...)
Show SMILES CCOc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H29N3O4/c1-6-27-19-16(8-7-11-22-19)20(25)24-12-15(10-9-13(24)2)18-23-17(14(3)28-18)21(4,5)26/h7-8,11,13,15,26H,6,9-10,12H2,1-5H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360400
PNG
(US9828368, Example 53)
Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(=O)C(F)F
Show InChI InChI=1S/C22H25F2N5O5/c1-3-34-22(33)17(18(30)19(23)24)27-20(31)14-9-8-13(2)28(12-14)21(32)15-6-4-5-7-16(15)29-25-10-11-26-29/h4-7,10-11,13-14,17,19H,3,8-9,12H2,1-2H3,(H,27,31)/t13-,14-,17?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360412
PNG
(US9828368, Example 59)
Show SMILES COCc1nc(oc1-c1ccccc1)C1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H27N5O3/c1-18-12-13-20(25-29-22(17-33-2)24(34-25)19-8-4-3-5-9-19)16-30(18)26(32)21-10-6-7-11-23(21)31-27-14-15-28-31/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360349
PNG
(US9828368, Example 11)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C#N)c(Br)o1
Show InChI InChI=1S/C19H17BrN6O2/c1-12-6-7-13(18-24-15(10-21)17(20)28-18)11-25(12)19(27)14-4-2-3-5-16(14)26-22-8-9-23-26/h2-5,8-9,12-13H,6-7,11H2,1H3/t12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM330343
PNG
(1-(3-{[(3R,6R)- 1-{[6-methoxy- 2-(2H-1,2,3- triazo...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cccc(c2)C(C)O)c(n1)-n1nccn1
Show InChI InChI=1S/C23H27N5O4/c1-15-7-8-19(32-18-6-4-5-17(13-18)16(2)29)14-27(15)23(30)20-9-10-21(31-3)26-22(20)28-24-11-12-25-28/h4-6,9-13,15-16,19,29H,7-8,14H2,1-3H3/t15-,16?,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360406
PNG
(US9828368, Example 56)
Show SMILES COC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H27N5O5/c1-17-12-13-19(24(33)29-22(26(35)36-2)23(32)18-8-4-3-5-9-18)16-30(17)25(34)20-10-6-7-11-21(20)31-27-14-15-28-31/h3-11,14-15,17,19,22H,12-13,16H2,1-2H3,(H,29,33)/t17-,19-,22?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360407
PNG
(US9828368, Example 57)
Show SMILES COC(=O)c1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H25N5O4/c1-17-12-13-19(24-29-22(26(33)34-2)23(35-24)18-8-4-3-5-9-18)16-30(17)25(32)20-10-6-7-11-21(20)31-27-14-15-28-31/h3-11,14-15,17,19H,12-13,16H2,1-2H3/t17-,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360425
PNG
(US9828368, Example 69)
Show SMILES COC(C)(C)Cc1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C29H33N5O3/c1-20-14-15-22(19-33(20)28(35)23-12-8-9-13-25(23)34-30-16-17-31-34)27-32-24(18-29(2,3)36-4)26(37-27)21-10-6-5-7-11-21/h5-13,16-17,20,22H,14-15,18-19H2,1-4H3/t20-,22-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360344
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-2- methy...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)-c1cccc(C)c1
Show InChI InChI=1S/C25H25N5O2/c1-17-6-5-7-19(14-17)22-16-32-24(28-22)20-11-10-18(2)29(15-20)25(31)21-8-3-4-9-23(21)30-26-12-13-27-30/h3-9,12-14,16,18,20H,10-11,15H2,1-2H3/t18-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360356
PNG
(US9828368, Example 18 | US9828368, Example 19)
Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(C)=O
Show InChI InChI=1S/C22H27N5O5/c1-4-32-22(31)19(15(3)28)25-20(29)16-10-9-14(2)26(13-16)21(30)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H,25,29)/t14-,16-,19?/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360359
PNG
(US9828368, Example 20)
Show SMILES Cc1oc(nc1C(C)(C)O)[C@@H]1CCCN(C1)C(=O)c1ccccc1C1(CC1)C#N
Show InChI InChI=1S/C23H27N3O3/c1-15-19(22(2,3)28)25-20(29-15)16-7-6-12-26(13-16)21(27)17-8-4-5-9-18(17)23(14-24)10-11-23/h4-5,8-9,16,28H,6-7,10-13H2,1-3H3/t16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360430
PNG
(US9828368, Example 72)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C(=O)NCC(C)=O
Show InChI InChI=1S/C20H25N5O3/c1-13-4-7-18(25-22-8-9-23-25)17(10-13)20(28)24-12-16(6-5-14(24)2)19(27)21-11-15(3)26/h4,7-10,14,16H,5-6,11-12H2,1-3H3,(H,21,27)/t14-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360847
PNG
(US9828368, Example 77)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)C(=O)NC(C(O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H31N5O3/c1-21-16-17-24(20-34(21)30(38)25-14-8-9-15-26(25)35-31-18-19-32-35)29(37)33-27(22-10-4-2-5-11-22)28(36)23-12-6-3-7-13-23/h2-15,18-19,21,24,27-28,36H,16-17,20H2,1H3,(H,33,37)/t21-,24-,27?,28?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360360
PNG
(4-((2-(2R,5R)-5-(4-(2-Hydroxypropan- 2-yl)-5-methy...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CCOCC1)C#N)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C26H33N3O4/c1-17-9-10-19(23-28-22(18(2)33-23)25(3,4)31)15-29(17)24(30)20-7-5-6-8-21(20)26(16-27)11-13-32-14-12-26/h5-8,17,19,31H,9-15H2,1-4H3/t17-,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360847
PNG
(US9828368, Example 77)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)C(=O)NC(C(O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H31N5O3/c1-21-16-17-24(20-34(21)30(38)25-14-8-9-15-26(25)35-31-18-19-32-35)29(37)33-27(22-10-4-2-5-11-22)28(36)23-12-6-3-7-13-23/h2-15,18-19,21,24,27-28,36H,16-17,20H2,1H3,(H,33,37)/t21-,24-,27?,28?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360418
PNG
(US9828368, Example 66)
Show SMILES C[C@@H]1CCC(CN1C(=O)c1ccccc1-n1nccn1)c1nc(COS(C)(=O)=O)c(o1)-c1ccccc1
Show InChI InChI=1S/C26H27N5O5S/c1-18-12-13-20(16-30(18)26(32)21-10-6-7-11-23(21)31-27-14-15-28-31)25-29-22(17-35-37(2,33)34)24(36-25)19-8-4-3-5-9-19/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360341
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R, 5R)-5-(4-(6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)-c1cccc(F)n1
Show InChI InChI=1S/C23H21FN6O2/c1-15-9-10-16(22-28-19(14-32-22)18-6-4-8-21(24)27-18)13-29(15)23(31)17-5-2-3-7-20(17)30-25-11-12-26-30/h2-8,11-12,14-16H,9-10,13H2,1H3/t15-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360339
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-(4- cy...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c1-14-6-7-16(20-24-18(13-28-20)15-8-9-15)12-25(14)21(27)17-4-2-3-5-19(17)26-22-10-11-23-26/h2-5,10-11,13-16H,6-9,12H2,1H3/t14-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360346
PNG
(1-(3-{[(3S,6S)-1-{[6-methoxy-2-(2H-1,2,3-triazol-2...)
Show SMILES COc1ccc(C(=O)N2C[C@H](CC[C@@H]2C)Oc2cccc(c2)C(C)O)c(n1)-n1nccn1
Show InChI InChI=1S/C23H27N5O4/c1-15-7-8-19(32-18-6-4-5-17(13-18)16(2)29)14-27(15)23(30)20-9-10-21(31-3)26-22(20)28-24-11-12-25-28/h4-6,9-13,15-16,19,29H,7-8,14H2,1-3H3/t15-,16?,19-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360391
PNG
(US9828368, Example 44 | US9828368, Example 45)
Show SMILES CC[C@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-5-23(4,30)20-16(3)31-21(26-20)17-11-10-15(2)27(14-17)22(29)18-8-6-7-9-19(18)28-24-12-13-25-28/h6-9,12-13,15,17,30H,5,10-11,14H2,1-4H3/t15-,17-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360356
PNG
(US9828368, Example 18 | US9828368, Example 19)
Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(C)=O
Show InChI InChI=1S/C22H27N5O5/c1-4-32-22(31)19(15(3)28)25-20(29)16-10-9-14(2)26(13-16)21(30)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H,25,29)/t14-,16-,19?/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(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
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 815n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360350
PNG
(US9828368, Example 12)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(Br)o1
Show InChI InChI=1S/C29H35BrN6O7/c1-17-12-13-18(16-34(17)24(37)19-10-8-9-11-20(19)36-31-14-15-32-36)23-33-21(22(30)41-23)25(38)35(26(39)42-28(2,3)4)27(40)43-29(5,6)7/h8-11,14-15,17-18H,12-13,16H2,1-7H3/t17-,18-/m1/s1
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n/an/a 875n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM330343
PNG
(1-(3-{[(3R,6R)- 1-{[6-methoxy- 2-(2H-1,2,3- triazo...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cccc(c2)C(C)O)c(n1)-n1nccn1
Show InChI InChI=1S/C23H27N5O4/c1-15-7-8-19(32-18-6-4-5-17(13-18)16(2)29)14-27(15)23(30)20-9-10-21(31-3)26-22(20)28-24-11-12-25-28/h4-6,9-13,15-16,19,29H,7-8,14H2,1-3H3/t15-,16?,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360846
PNG
(US9828368, Example 76 | cyclopropyl (2-(2H-1,2,3-T...)
Show SMILES C[C@@H]1CC[C@H](CN1[C](=O)(C1CC1)c1ccccc1-n1nccn1)c1ncc(o1)C1CC1
Show InChI InChI=1S/C24H28N5O2/c1-16-6-7-18(23-25-14-22(31-23)17-8-9-17)15-28(16)24(30,19-10-11-19)20-4-2-3-5-21(20)29-26-12-13-27-29/h2-5,12-14,16-19H,6-11,15H2,1H3/t16-,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360418
PNG
(US9828368, Example 66)
Show SMILES C[C@@H]1CCC(CN1C(=O)c1ccccc1-n1nccn1)c1nc(COS(C)(=O)=O)c(o1)-c1ccccc1
Show InChI InChI=1S/C26H27N5O5S/c1-18-12-13-20(16-30(18)26(32)21-10-6-7-11-23(21)31-27-14-15-28-31)25-29-22(17-35-37(2,33)34)24(36-25)19-8-4-3-5-9-19/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM330343
PNG
(1-(3-{[(3R,6R)- 1-{[6-methoxy- 2-(2H-1,2,3- triazo...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cccc(c2)C(C)O)c(n1)-n1nccn1
Show InChI InChI=1S/C23H27N5O4/c1-15-7-8-19(32-18-6-4-5-17(13-18)16(2)29)14-27(15)23(30)20-9-10-21(31-3)26-22(20)28-24-11-12-25-28/h4-6,9-13,15-16,19,29H,7-8,14H2,1-3H3/t15-,16?,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360407
PNG
(US9828368, Example 57)
Show SMILES COC(=O)c1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C26H25N5O4/c1-17-12-13-19(24-29-22(26(33)34-2)23(35-24)18-8-4-3-5-9-18)16-30(17)25(32)20-10-6-7-11-21(20)31-27-14-15-28-31/h3-11,14-15,17,19H,12-13,16H2,1-2H3/t17-,19-/m1/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360390
PNG
(US9828368, Example 43)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)sc1-n1nccn1)c1nc(C)c(o1)C(C)(C)O
Show InChI InChI=1S/C21H27N5O3S/c1-12-6-7-15(18-24-14(3)17(29-18)21(4,5)28)11-25(12)19(27)16-10-13(2)30-20(16)26-22-8-9-23-26/h8-10,12,15,28H,6-7,11H2,1-5H3/t12-,15-/m1/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360391
PNG
(US9828368, Example 44 | US9828368, Example 45)
Show SMILES CC[C@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-5-23(4,30)20-16(3)31-21(26-20)17-11-10-15(2)27(14-17)22(29)18-8-6-7-9-19(18)28-24-12-13-25-28/h6-9,12-13,15,17,30H,5,10-11,14H2,1-4H3/t15-,17-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360381
PNG
(US9828368, Example 37)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H26FN5O3/c1-13-5-6-15(20-26-19(14(2)31-20)22(3,4)30)12-27(13)21(29)17-8-7-16(23)11-18(17)28-24-9-10-25-28/h7-11,13,15,30H,5-6,12H2,1-4H3/t13-,15-/m1/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360365
PNG
(((2R, 5R)-5-(4-(2-Hydroxypropan-2- yl)-5-methyloxa...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H26N4O3S/c1-13-6-7-15(20-25-18(14(2)29-20)22(3,4)28)12-26(13)21(27)16-8-11-30-17(16)19-23-9-5-10-24-19/h5,8-11,13,15,28H,6-7,12H2,1-4H3/t13-,15-/m1/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360367
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H25F3N2O4/c1-12-9-10-14(18-25-17(13(2)29-18)20(3,4)28)11-26(12)19(27)15-7-5-6-8-16(15)30-21(22,23)24/h5-8,12,14,28H,9-11H2,1-4H3/t12-,14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM360406
PNG
(US9828368, Example 56)
Show SMILES COC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H27N5O5/c1-17-12-13-19(24(33)29-22(26(35)36-2)23(32)18-8-4-3-5-9-18)16-30(17)25(34)20-10-6-7-11-21(20)31-27-14-15-28-31/h3-11,14-15,17,19,22H,12-13,16H2,1-2H3,(H,29,33)/t17-,19-,22?/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360364
PNG
(US9828368, Example 25)
Show SMILES C[C@@H]1CCC(CN1C(=O)c1ccsc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C20H25N5O3S/c1-12-5-6-14(17-23-16(13(2)28-17)20(3,4)27)11-24(12)18(26)15-7-10-29-19(15)25-21-8-9-22-25/h7-10,12,14,27H,5-6,11H2,1-4H3/t12-,14?/m1/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360396
PNG
(US9828368, Example 48 | US9828368, Example 49)
Show SMILES CC[C@@](C)(O)c1nc(oc1C)C1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)17-14(3)29-18(24-17)15-7-6-13(2)25(12-15)19(27)16-8-11-30-20(16)26-22-9-10-23-26/h8-11,13,15,28H,5-7,12H2,1-4H3/t13-,15?,21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360396
PNG
(US9828368, Example 48 | US9828368, Example 49)
Show SMILES CC[C@@](C)(O)c1nc(oc1C)C1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)17-14(3)29-18(24-17)15-7-6-13(2)25(12-15)19(27)16-8-11-30-20(16)26-22-9-10-23-26/h8-11,13,15,28H,5-7,12H2,1-4H3/t13-,15?,21-/m1/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360368
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES CC(C)Oc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C23H32N2O4/c1-14(2)28-19-10-8-7-9-18(19)22(26)25-13-17(12-11-15(25)3)21-24-20(16(4)29-21)23(5,6)27/h7-10,14-15,17,27H,11-13H2,1-6H3/t15-,17-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360384
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H26F3N3O4/c1-12-7-8-14(17-26-16(13(2)31-17)20(3,4)29)10-27(12)19(28)15-6-5-9-25-18(15)30-11-21(22,23)24/h5-6,9,12,14,29H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1
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US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360373
PNG
(US9828368, Example 34)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C24H28N4O3/c1-15-10-11-17(22-27-20(16(2)31-22)24(3,4)30)14-28(15)23(29)19-9-6-5-8-18(19)21-25-12-7-13-26-21/h5-9,12-13,15,17,30H,10-11,14H2,1-4H3/t15-,17-/m1/s1
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US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360366
PNG
(US9828368, Example 27)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)C1=NC(C(C)=[O]1)C(C)(C)O
Show InChI InChI=1S/C22H31N2O4/c1-6-27-18-10-8-7-9-17(18)21(25)24-13-16(12-11-14(24)2)20-23-19(15(3)28-20)22(4,5)26/h7-10,14,16,19,26H,6,11-13H2,1-5H3/t14-,16-,19?/m1/s1
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US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360347
PNG
(US9828368, Example 10)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C#N)c(N)o1
Show InChI InChI=1S/C19H19N7O2/c1-12-6-7-13(18-24-15(10-20)17(21)28-18)11-25(12)19(27)14-4-2-3-5-16(14)26-22-8-9-23-26/h2-5,8-9,12-13H,6-7,11,21H2,1H3/t12-,13-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



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US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360376
PNG
(US9828368, Example 35)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C20H25N5O3S/c1-12-5-6-14(18-23-17(13(2)28-18)20(3,4)27)9-24(12)19(26)15-10-29-11-16(15)25-21-7-8-22-25/h7-8,10-12,14,27H,5-6,9H2,1-4H3/t12-,14-/m1/s1
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US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360336
PNG
(US9828368, Example 2)
Show SMILES COC(=O)C1CC1c1coc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H25N5O4/c1-14-7-8-15(21-26-19(13-32-21)17-11-18(17)23(30)31-2)12-27(14)22(29)16-5-3-4-6-20(16)28-24-9-10-25-28/h3-6,9-10,13-15,17-18H,7-8,11-12H2,1-2H3/t14-,15-,17?,18?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360398
PNG
(US9828368, Example 52)
Show SMILES CCOC(=O)c1nc(oc1Cl)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H22ClN5O4/c1-3-30-21(29)17-18(22)31-19(25-17)14-9-8-13(2)26(12-14)20(28)15-6-4-5-7-16(15)27-23-10-11-24-27/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3/t13-,14-/m1/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM50108616
PNG
(CHEMBL3597957 | US9828368, Example 24)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H26N6O3/c1-13-9-10-15(19-24-18(14(2)30-19)21(3,4)29)11-26(13)20(28)16-7-5-6-8-17(16)27-23-12-22-25-27/h5-8,12-13,15,29H,9-11H2,1-4H3/t13-,15-/m1/s1
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n/an/a 3.84E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360430
PNG
(US9828368, Example 72)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C(=O)NCC(C)=O
Show InChI InChI=1S/C20H25N5O3/c1-13-4-7-18(25-22-8-9-23-25)17(10-13)20(28)24-12-16(6-5-14(24)2)19(27)21-11-15(3)26/h4,7-10,14,16H,5-6,11-12H2,1-3H3,(H,21,27)/t14-,16-/m1/s1
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n/an/a 4.54E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360394
PNG
((4-(2H-1,2,3-triazol-2-yl)thiophen-3- yl)((2R,5R)-...)
Show SMILES CC[C@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cscc1-n1nccn1
Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)18-14(3)29-19(24-18)15-7-6-13(2)25(10-15)20(27)16-11-30-12-17(16)26-22-8-9-23-26/h8-9,11-13,15,28H,5-7,10H2,1-4H3/t13-,15-,21+/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360382
PNG
(US9828368, Example 38)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)F)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H27F2N3O4/c1-12-7-8-14(18-25-17(13(2)30-18)21(3,4)28)10-26(12)20(27)15-6-5-9-24-19(15)29-11-16(22)23/h5-6,9,12,14,16,28H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360334
PNG
(US9828368, Example 1)
Show SMILES C[C@@H]1CCC(CN1C(=O)c1ccccc1-n1nccn1)c1nc(Br)co1
Show InChI InChI=1S/C18H18BrN5O2/c1-12-6-7-13(17-22-16(19)11-26-17)10-23(12)18(25)14-4-2-3-5-15(14)24-20-8-9-21-24/h2-5,8-9,11-13H,6-7,10H2,1H3/t12-,13?/m1/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360395
PNG
((4-(2H-1,2,3-triazol-2-yl)thiophen-3- yl)((2R,5R)-...)
Show SMILES CC[C@@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cscc1-n1nccn1
Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)18-14(3)29-19(24-18)15-7-6-13(2)25(10-15)20(27)16-11-30-12-17(16)26-22-8-9-23-26/h8-9,11-13,15,28H,5-7,10H2,1-4H3/t13-,15-,21-/m1/s1
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n/an/a 9.77E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360372
PNG
(US9828368, Example 33)
Show SMILES COC(=O)c1ccccc1C(=O)N1CC(CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H28N2O5/c1-13-10-11-15(19-23-18(14(2)29-19)22(3,4)27)12-24(13)20(25)16-8-6-7-9-17(16)21(26)28-5/h6-9,13,15,27H,10-12H2,1-5H3/t13-,15?/m1/s1
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n/an/a 9.98E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360349
PNG
(US9828368, Example 11)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C#N)c(Br)o1
Show InChI InChI=1S/C19H17BrN6O2/c1-12-6-7-13(18-24-15(10-21)17(20)28-18)11-25(12)19(27)14-4-2-3-5-16(14)26-22-8-9-23-26/h2-5,8-9,12-13H,6-7,11H2,1H3/t12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360369
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES COc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-13-10-11-15(19-22-18(14(2)27-19)21(3,4)25)12-23(13)20(24)16-8-6-7-9-17(16)26-5/h6-9,13,15,25H,10-12H2,1-5H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360362
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan- 2-yl)-5-methyloxaz...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc2ccnn12)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H26N4O3/c1-13-8-9-15(19-23-18(14(2)28-19)21(3,4)27)12-24(13)20(26)17-7-5-6-16-10-11-22-25(16)17/h5-7,10-11,13,15,27H,8-9,12H2,1-4H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360361
PNG
((2-Ethoxypyridin-3-yl)((2R,5R)- 5-(4-(2-hydroxypro...)
Show SMILES CCOc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H29N3O4/c1-6-27-19-16(8-7-11-22-19)20(25)24-12-15(10-9-13(24)2)18-23-17(14(3)28-18)21(4,5)26/h7-8,11,13,15,26H,6,9-10,12H2,1-5H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360369
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES COc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-13-10-11-15(19-22-18(14(2)27-19)21(3,4)25)12-23(13)20(24)16-8-6-7-9-17(16)26-5/h6-9,13,15,25H,10-12H2,1-5H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360385
PNG
(((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H31N3O4/c1-13(2)28-20-17(8-7-11-23-20)21(26)25-12-16(10-9-14(25)3)19-24-18(15(4)29-19)22(5,6)27/h7-8,11,13-14,16,27H,9-10,12H2,1-6H3/t14-,16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360387
PNG
(US9828368, Example 41)
Show SMILES COCCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C23H32N2O4/c1-15-10-11-18(21-24-20(16(2)29-21)23(3,4)27)14-25(15)22(26)19-9-7-6-8-17(19)12-13-28-5/h6-9,15,18,27H,10-14H2,1-5H3/t15-,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360380
PNG
(US9828368, Example 36)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-c1ncccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H26N4O3S/c1-13-6-7-15(20-25-18(14(2)29-20)22(3,4)28)10-26(13)21(27)17-12-30-11-16(17)19-23-8-5-9-24-19/h5,8-9,11-13,15,28H,6-7,10H2,1-4H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360389
PNG
(US9828368, Example 42)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cnsc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C19H24N6O3S/c1-11-5-6-13(16-23-15(12(2)28-16)19(3,4)27)10-24(11)17(26)14-9-22-29-18(14)25-20-7-8-21-25/h7-9,11,13,27H,5-6,10H2,1-4H3/t11-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360371
PNG
((2-Chloro-5-isopropylthiazol-4-yl)((2R,5R)-5-(4- (...)
Show SMILES CC(C)c1sc(Cl)nc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C20H28ClN3O3S/c1-10(2)15-14(22-19(21)28-15)18(25)24-9-13(8-7-11(24)3)17-23-16(12(4)27-17)20(5,6)26/h10-11,13,26H,7-9H2,1-6H3/t11-,13-/m1/s1
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Merck Sharp & Dohme Corp.

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US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM360360
PNG
(4-((2-(2R,5R)-5-(4-(2-Hydroxypropan- 2-yl)-5-methy...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CCOCC1)C#N)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C26H33N3O4/c1-17-9-10-19(23-28-22(18(2)33-23)25(3,4)31)15-29(17)24(30)20-7-5-6-8-21(20)26(16-27)11-13-32-14-12-26/h5-8,17,19,31H,9-15H2,1-4H3/t17-,19-/m1/s1
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US Patent US9828368 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%